SCHEMBL831218

SCHEMBL831218

C=CCc1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 8/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL6205052 0.79 TDP1 (0.42) TDP1KMT2AMEN1CA12GPR35
SCHEMBL7701112 0.79 TSHR (0.35) TDP1GPR35ALDH1A1TSHRHTT
SCHEMBL456245 0.77 TDP1 (0.44) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL5585097 0.77 TDP1 (0.41) TDP1KMT2AMEN1CA12GPR35
SCHEMBL1173928 0.75 TDP1 (0.41) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL2256042 0.74 TDP1 (0.41) TDP1KMT2AMEN1CA12GPR35
SCHEMBL5154337 0.73 KMT2A (0.41) TDP1KMT2AMEN1ALDH1A1TSHR
SCHEMBL831217 0.73 GABRA1 (0.36) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL10923400 0.73 TDP1 (0.48) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL8177418 0.72 POLB (0.42) TDP1KMT2AMEN1GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT TDP1 3832/4885KMT2A 4258/4885MEN1 4634/4885

“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.