SCHEMBL13002995

SCHEMBL13002995

O=C(Cl)N1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
NOTUM Q6P988 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ATM Q13315 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
SCHEMBL27796854 0.87 HPGD (0.47) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL6691919 0.85 NOTUM (0.60) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL9800935 0.85 HPGD (0.46) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL12919995 0.82 ALDH1A1 (0.54) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL13309261 0.82 HTR2A (0.45) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL25014859 0.82 MEN1 (0.54) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL20897098 0.82 RAB9A (0.47) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL13309263 0.82 RAB9A (0.45) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL19193156 0.79 ALDH1A1 (0.43) HPGDNOTUMRAB9ANPC1ALDH1A1
SCHEMBL28208186 0.78 ALDH1A1 (0.46) HPGDNOTUMRAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
EP-1377548-B1 PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS MEDICAL RES COUNCIL (GB) 2009-02-18 EP disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 HPGD 265/4885NOTUM 4240/4885RAB9A 550/4885

“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.