SCHEMBL7079985

SCHEMBL7079985

C=CCc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6176152 0.85 TDP1 (0.60) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30367918 0.82 ALDH1A1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1135905 0.82 ALDH1A1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10229496 0.81 ALDH1A1 (0.44) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL10693919 0.81 TSHR (0.49) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3841885 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
Bromide SCHEMBL28506426 0.81 ALDH1A1 (0.56) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14641737 0.80 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL425736 0.80 GPR35 (0.58) TDP1TSHRALDH1A1KMT2AL3MBTL1
SCHEMBL10561069 0.80 ALDH1A1 (0.43) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
EP-1013636-B1 Preparation of allylic aromatic compounds AMERSHAM HEALTH AS (NO) 2003-07-09 EP disclosed
US-6284894-B1 AROMATIC AMINE IS REACTED FIRST WITH A NITRITE AND THEN WITH AN ALLYLIC OLEFIN HAVING AN ELIMINATABLE TERMINAL SUBSTITUENT. NYCOMED IMAGING AS (NO) 2001-09-04 US disclosed
EP-1013636-A1 Preparation of allylic aromatic compounds NYCOMED IMAGING AS (NO) 2000-06-28 EP 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-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 TDP1 2885/4885TSHR 1529/4885SMN1; SMN2 4097/4885

“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.