SCHEMBL4394449

SCHEMBL4394449

C[N]c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
ATM Q13315 1/20 0.44
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 3/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11696808 0.81 SMN1; SMN2 (0.47) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL10106300 0.81 SMN1; SMN2 (0.47) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL29364976 0.81 SMN1; SMN2 (0.47) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL49551 0.81 TRPA1 (0.46) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL15854744 0.80 ATM (0.41) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL630878 0.78
SCHEMBL14669788 0.77 TRPA1 (0.42) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL30022899 0.77 CYP3A4 (0.43) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL1537728 0.77 CYP3A4 (0.43) TRPA1ATMCYP3A4CYP1A2CYP2A6
SCHEMBL3778547 0.77 TRPA1 (0.42) TRPA1ATMCYP3A4CYP1A2CYP2A6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
EP-1998790-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2008-12-10 EP disclosed
WO-2007100874-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2007-09-07 WO disclosed
EP-1080079-A4 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME US BIOSCIENCE (US) 2001-10-04 EP disclosed
US-6258952-B1 CRYSTALLIZATION MEDIMMUNE ONCOLOGY, INC. 2001-07-10 US disclosed
EP-1080079-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 2001-03-07 EP disclosed
US-6017922-A Thermally stable trimetrexates and processes for producing the same U.S. BIOSCIENCE, INC. (US) 2000-01-25 US disclosed
WO-1999059981-A1 THERMALLY STABLE TRIMETREXATES AND PROCESSES FOR PRODUCING THE SAME U.S. BIOSCIENCE, INC. (US) 1999-11-25 WO disclosed
US-5069708-A PRE-AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4559345-A Pyrimidine and s-triazine derivatives with antilipidemic activity LBP ISTITUTO FARACEUTICO S.P.A. (IT) 1985-12-17 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0073328-A1 Novel pyrimidine and s. triazine derivatives with antilipidemic activity LPB Istituto Farmaceutico s.p.a. (IT) 1983-03-09 EP disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4254214-A BLACK, REDUCTION OF COPPER SALT OR COMPLEX TO COPPER FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (1 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-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use CUTA, NGLY1, LNPEP TRPA1 2189/4885ATM 4147/4885CYP3A4 4882/4885

“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.