SCHEMBL441515

SCHEMBL441515

CC(C)CCCc1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TERT O14746 1/20 0.44
TAAR1 Q96RJ0 9/20 0.44
GPR84 Q9NQS5 1/20 0.41
ALOX15 P16050 1/20 0.40
TXN P10599 1/20 0.39
TXNRD1 Q16881 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HTR1A P08908 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL439546 0.94 TBXAS1 (0.51) TBXAS1TERTTAAR1GPR84ALOX15
SCHEMBL27232031 0.93 TBXAS1 (0.54) TBXAS1TERTTAAR1GPR84ALOX15
SCHEMBL4129898 0.93 TBXAS1 (0.54) TBXAS1TERTTAAR1GPR84ALOX15
SCHEMBL441513 0.88 TERT (0.47) TBXAS1TERTTAAR1ALOX15TXN
Iodide SCHEMBL14645279 0.86 TERT (0.46) TBXAS1TERTTAAR1ALOX15TXN
SCHEMBL10763709 0.85 TBXAS1 (0.46) TBXAS1TERTTAAR1ALOX15TXN
SCHEMBL9777191 0.81 TBXAS1 (0.60) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL3431746 0.81 TBXAS1 (0.66) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL31617011 0.80 TERT (0.39) TBXAS1TERTTAAR1HRH4
SCHEMBL28062565 0.79 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756666-A1 NICOTINAMIDE COMPOUND FOR USE IN THE TREATMENT OF CANCER Oncotartis Inc. (US) 2020-12-30 EP disclosed
EP-3087051-B1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC (US) 2020-07-15 EP disclosed
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same ONCOTARTIS INC. (US) 2019-02-19 US disclosed
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2016-12-01 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
WO-2015100322-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS, INC. (US) 2015-07-02 WO disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120157701-A1 PROCESS FOR PREPARING SILOXY CARBOXYLATES BASF SE (DE) 2012-06-21 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20090023933-A1 METHOD FOR ISOLATING ACIDS FROM CHEMICAL REACTION MIXTURES BY USING 1-ALKYLIMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
CN-1894174-A Method for isolating acids from chemical reaction mixtures by using 1-alkylimidazoles BASF AG (DE) 2007-01-10 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TBXAS1 1025/4885TERT 1263/4885TAAR1 1575/4885
US-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 TBXAS1 1864/4885TERT 597/4885TAAR1 3426/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TBXAS1 1025/4885TERT 1263/4885TAAR1 1575/4885
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same NAMPT, NNT, NADK TBXAS1 1142/4885TERT 1402/4885TAAR1 4024/4885
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NAMPT, NNT, NADK TBXAS1 1142/4885TERT 1402/4885TAAR1 4024/4885
US-20090023933-A1 METHOD FOR ISOLATING ACIDS FROM CHEMICAL REACTION MIXTURES BY USING 1-ALKYLIMIDAZOLES POLL, INO80C, BRD7 TBXAS1 2094/4885TERT 1193/4885TAAR1 2735/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP TBXAS1 1025/4885TERT 1263/4885TAAR1 1575/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 TBXAS1 1013/4885TERT 1954/4885TAAR1 1120/4885
US-20120157701-A1 PROCESS FOR PREPARING SILOXY CARBOXYLATES IDH3A, IDH1, HDAC3 TBXAS1 4428/4885TERT 2450/4885TAAR1 2500/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 TBXAS1 1864/4885TERT 597/4885TAAR1 3426/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 TBXAS1 1013/4885TERT 1954/4885TAAR1 1120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.