SCHEMBL7122749

SCHEMBL7122749

CCCc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP3A4 P08684 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 2/20 0.47
S1PR4 O95977 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 1/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL7921397 0.90 TDP1 (0.51) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL6549530 0.88 TDP1 (0.50) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL1771537 0.88 CYP3A4 (0.56) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL30873107 0.88 CYP3A4 (0.56) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL460989 0.87 HTT (0.66) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL3477025 0.87 KCNH2 (0.49) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL11783489 0.87 KCNH2 (0.49) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL14220842 0.85 KDM4E (0.49) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL15835003 0.84 POLB (0.52) TDP1ALDH1A1CYP3A4HTTPOLB
SCHEMBL10630389 0.83 ALDH1A1 (0.51) TDP1ALDH1A1CYP3A4HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 TDP1 3939/4885ALDH1A1 587/4885CYP3A4 199/4885

“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.