SCHEMBL906696

SCHEMBL906696

Cc1cc(C)c(Cl)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAPGEF4 Q8WZA2 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CD44 P16070 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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 SCHEMBL9843038 0.97 ALDH1A1 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL1003476 0.87 CYP3A4 (0.50) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL29380985 0.84 CYP3A4 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL27290002 0.81 CYP3A4 (0.52) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8724388 0.80 CYP3A4 (0.50) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL1019625 0.79 CYP3A4 (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL31497683 0.79 CYP3A4 (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL31120437 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL10913798 0.79 CYP3A4 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL120101 0.75 TSHR (0.39) CYP3A4ALDH1A1RAPGEF4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
WO-2021047622-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-18 WO disclosed
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 US disclosed
EP-3312292-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-09-25 EP disclosed
EP-1885875-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2019-05-22 EP disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO disclosed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US disclosed
US-4019893-A Herbicidal method using 2-sulfinyl or 2-sulfonyl pyridine N-oxide derivatives UNIROYAL INC. (US) 1977-04-26 US disclosed
US-3960542-A Herbicidal 2-sulfinyl and 2-sulfonyl pyridine N-oxide derivatives UNIROYAL INC. (US) 1976-06-01 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 (7 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-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F CYP3A4 231/4885CHRM1 2247/4885ALOX15 753/4885
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP3A4 850/4885CHRM1 4211/4885ALOX15 1273/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP3A4 850/4885CHRM1 4211/4885ALOX15 1273/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 CYP3A4 3128/4885CHRM1 901/4885ALOX15 2992/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H CYP3A4 79/4885CHRM1 3286/4885ALOX15 2549/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F CYP3A4 231/4885CHRM1 2247/4885ALOX15 753/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD CYP3A4 1743/4885CHRM1 4550/4885ALOX15 1545/4885

“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.