SCHEMBL773201

SCHEMBL773201

NCC(O)COc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KCNH2 Q12809 3/20 0.56
CACNA1G O43497 2/20 0.56
MAPK1 P28482 2/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RECQL P46063 1/20 0.51
SCN4A P35499 2/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.49
NPY1R P25929 1/20 0.49
NLRP3 Q96P20 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8799683 1.00 CYP1A2 (0.63) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL8798100 1.00 CYP1A2 (0.63) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL11127254 0.90 SMN1; SMN2 (0.61) CYP1A2KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15450588 0.89 CYP1A2 (0.60) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL9922436 0.85 CYP1A2 (0.59) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL9922127 0.85 CYP1A2 (0.59) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL11140249 0.83 CYP1A2 (0.66) CYP1A2KMT2AKCNH2CACNA1GMAPK1
SCHEMBL20883372 0.83 KMT2A (0.55) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G
SCHEMBL6074194 0.82 PTGS1 (0.57) KMT2ASMN1; SMN2KCNH2MAPTTSHR
SCHEMBL1496562 0.82 CYP1A2 (0.60) CYP1A2KMT2ASMN1; SMN2KCNH2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
CN-109689861-A For treating the composition and method of acne 加州大学评议会 2019-04-26 CN disclosed
CN-109562048-A For promoting the composition and method of skin health 加州大学评议会 2019-04-02 CN 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-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-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-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-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-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-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-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed
EP-0702015-B1 Bicyclic oxazole and thiazole substituted ethers CIBA GEIGY AG (CH) 1997-09-24 EP disclosed
US-5563160-A NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-10-08 US disclosed
CN-1130186-A Ethers substituted by dicycle oxazole and thiazole SANDOZ CO LTD (CH) 1996-09-04 CN disclosed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP disclosed
EP-0702015-A1 Bicyclic oxazole and thiazole substituted ethers SANDOZ LTD. (CH) 1996-03-20 EP disclosed
EP-0660823-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-07-05 EP disclosed
WO-1994006770-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-03-31 WO disclosed
EP-0522176-A1 DIHYDROPYRIDINE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-01-13 EP disclosed
WO-1992013839-A1 DIHYDROPYRIDINE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-20 WO 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 (2 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 CYP1A2 1089/4885KMT2A 2169/4885SMN1; SMN2 2866/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1A2 1089/4885KMT2A 2169/4885SMN1; SMN2 2866/4885

“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.