SCHEMBL641132

SCHEMBL641132

O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.67
KCNMA1 Q12791 4/20 0.63
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.60
ATM Q13315 1/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
PPARG P37231 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL14112975 0.87 PHGDH (0.67) PHGDHKCNMA1ALDH1A1HTTATM
SCHEMBL18341405 0.85 KCNMA1 (0.75) PHGDHKCNMA1ALDH1A1HTTATM
SCHEMBL30771718 0.85 KCNMA1 (0.75) PHGDHKCNMA1ALDH1A1HTTATM
SCHEMBL12443215 0.82 MAPT (0.66) KCNMA1ALDH1A1HTTLMNAPOLB
SCHEMBL9901505 0.81 CYP2C19 (0.72) ALDH1A1LMNANPC1RAB9APPARG
SCHEMBL1138444 0.81 KCNMA1 (0.56) KCNMA1ALDH1A1HTTPOLBTDP1
SCHEMBL3832886 0.80 RORC (0.77) ALDH1A1HTTLMNAPOLBTDP1
SCHEMBL13802447 0.80 PHGDH (0.72) PHGDHKCNMA1ALDH1A1HTTATM
SCHEMBL394289 0.79 KCNMA1 (0.79) PHGDHKCNMA1ALDH1A1HTTATM
SCHEMBL9646962 0.79 KCNMA1 (0.64) PHGDHKCNMA1ALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 PHGDH 3386/4885KCNMA1 2107/4885ALDH1A1 2109/4885

“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.