SCHEMBL403214

SCHEMBL403214

O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.73
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
TRPV1 Q8NER1 1/20 0.62
ALDH1A1 P00352 3/20 0.60
HTT P42858 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPK1 P28482 2/20 0.57
KCNMA1 Q12791 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL19148563 0.90 RORC (0.67) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6816172 0.90 MAPT (0.71) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15668418 0.88 RORC (0.68) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL19148582 0.86 RORC (0.61) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7814934 0.86 RORC (0.62) RORCMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL18146474 0.85 RORC (1.00) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7130662 0.84 RORC (0.73) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL25346243 0.82 RORC (0.60) RORCMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8042285 0.82 MAPT (0.62) RORCMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6811868 0.82 MAPT (0.64) RORCMAPTSMN1; SMN2RAB9ANPC1

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
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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 (3 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-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN RORC 3572/4885MAPT 364/4885SMN1; SMN2 361/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN RORC 3572/4885MAPT 364/4885SMN1; SMN2 361/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO RORC 872/4885MAPT 2726/4885SMN1; SMN2 4415/4885

“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.