SCHEMBL255498

SCHEMBL255498

CCc1ccc(-n2ccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.62
CYP3A4 P08684 5/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP19A1 P11511 1/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
ENPP2 Q13822 1/20 0.58
MKNK1 Q9BUB5 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
NOTUM Q6P988 1/20 0.58
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
BAZ2B Q9UIF8 1/20 0.54
HTT P42858 2/20 0.54
TBXAS1 P24557 2/20 0.54

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
Ethylbenzene SCHEMBL11161612 0.87 CYP3A4 (0.72) MAOBCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL12310548 0.85 CYP3A4 (0.59) MAOBCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL21791731 0.84 LMNA (0.62) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2532397 0.83 LMNA (0.78) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL28108298 0.82 CYP3A4 (0.65) MAOBCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL23374637 0.81 CYP3A4 (0.51) MAOBCYP3A4CYP2D6CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL10510364 0.81 CYP3A4 (0.51) MAOBCYP3A4CYP2D6CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL28701756 0.81 LMNA (0.75) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL2460217 0.81 NOTUM (0.63) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL6878617 0.81 LMNA (0.58) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006308-B2 Adhesive composition for semiconductor circuit connection and adhesive film containing the same LG CHEM, LTD. (KR) 2024-06-11 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
CN-110283330-B Zinc-based luminescent metal organic framework material and preparation method and application thereof 江苏科技大学 2022-01-28 CN disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-20210115021-A1 ADHESIVE COMPOSITION FOR SEMICONDUCTOR CIRCUIT CONNECTION AND ADHESIVE FILM CONTAINING THE SAME LG CHEM, LTD. (KR) 2021-04-22 US disclosed
EP-3490983-B1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-02-17 EP disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 EP disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
US-20040053952-A1 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-18 US 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 MAOB 4021/4885CYP3A4 1832/4885CYP2D6 3131/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 MAOB 1518/4885CYP3A4 2243/4885CYP2D6 1108/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 MAOB 1510/4885CYP3A4 531/4885CYP2D6 275/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 MAOB 1797/4885CYP3A4 4146/4885CYP2D6 3013/4885
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PRNP, PSEN1 MAOB 1903/4885CYP3A4 4803/4885CYP2D6 4867/4885
US-20040053952-A1 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP13 MAOB 501/4885CYP3A4 1271/4885CYP2D6 601/4885
US-12006308-B2 Adhesive composition for semiconductor circuit connection and adhesive film containing the same ASH2L, SMARCC1, SMARCC2 MAOB 1745/4885CYP3A4 3501/4885CYP2D6 4459/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MAOB 824/4885CYP3A4 764/4885CYP2D6 1947/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 MAOB 1465/4885CYP3A4 2361/4885CYP2D6 1125/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA MAOB 253/4885CYP3A4 1682/4885CYP2D6 1134/4885
US-20210115021-A1 ADHESIVE COMPOSITION FOR SEMICONDUCTOR CIRCUIT CONNECTION AND ADHESIVE FILM CONTAINING THE SAME ASH2L, SMARCC1, SMARCC2 MAOB 1745/4885CYP3A4 3501/4885CYP2D6 4459/4885

“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.