SCHEMBL694416

SCHEMBL694416

[c]1ccc(NCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
CYP1A2 P05177 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CYP2D6 P10635 1/20 0.50
FFAR1 O14842 2/20 0.49
PTPN1 P18031 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PTPRZ1 P23471 1/20 0.49
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LTA4H P09960 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL6473811 0.98 HTT (0.57) HTTCYP1A2CA1CA2ALDH1A1
SCHEMBL1712184 0.91 HTT (0.53) HTTCYP1A2CA1CA2ALDH1A1
N-Benzylaniline SCHEMBL27620362 0.86 HTT (0.68) HTTCYP1A2CA1CA2ALDH1A1
SCHEMBL8165599 0.84 MEN1 (0.47) HTTCA1CA2CA12CA9
SCHEMBL22628164 0.84 HTT (0.71) HTTCYP1A2CA1CA2ALDH1A1
SCHEMBL1924100 0.84 HTT (0.78) HTTCYP1A2CA1CA2ALDH1A1
N-Benzylaniline SCHEMBL7840 0.84 HTT (0.71) HTTCYP1A2CA1CA2ALDH1A1
N-Benzylaniline SCHEMBL357137 0.81 HTT (0.68) HTTCYP1A2CA1CA2ALDH1A1
N-Benzylaniline SCHEMBL3602124 0.81 HTT (0.68) HTTCYP1A2CA1CA2ALDH1A1
N-Benzylaniline SCHEMBL2176624 0.81 HTT (0.68) HTTCYP1A2CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409837-B Glycopeptide compound with anti-drug resistance bacterial activity, preparation method and application thereof 上海来益生物药物研究开发中心有限责任公司 2021-09-24 CN claimed
US-20210093691-A1 Glycopeptide Compounds Having Activity Of Resisting Drug-Resistant Bacteria, And Preparation Method And Application Thereof SHANGHAI LAIYI CENTER FOR BIOPHARMACEUTICAL R&D CO., LTD. (CN) 2021-04-01 US claimed
EP-3763728-A1 GLYCOPEPTIDE COMPOUNDS HAVING ACTIVITY OF RESISTING DRUG-RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai LaiYi Center For Biopharmaceutical R&D Co., Ltd. (CN) 2021-01-13 EP claimed
WO-2019170046-A1 GLYCOPEPTIDE COMPOUNDS HAVING ACTIVITY OF RESISTING DRUG-RESISTANT BACTERIA, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海来益生物药物研究开发中心有限责任公司 2019-09-12 WO claimed
CN-108165261-A A kind of multicolor luminous gel based on terpyridine ligand and preparation method and application 南京邮电大学 2018-06-15 CN claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
CN-103154014-B Modified nucleosides, modified nucleosides-like and oligomeric compounds prepared therefrom ISIS PHARMACEUTICALS INC 2015-03-25 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
CN-103709096-A Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-04-09 CN claimed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-05-20 US claimed
WO-2004010950-A2 ARYL SUBSTITUTED HYDANTOIN COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20210093691-A1 Glycopeptide Compounds Having Activity Of Resisting Drug-Resistant Bacteria, And Preparation Method And Application Thereof VIP, CUTA, MGAM HTT 1116/4885CYP1A2 2598/4885CA1 4858/4885
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers SCN1A, CACNA1S, SCN1B HTT 25/4885CYP1A2 1362/4885CA1 754/4885
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A HTT 266/4885CYP1A2 1807/4885CA1 1206/4885

“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.