SCHEMBL4359579

SCHEMBL4359579

CSc1nccc(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
HASPIN Q8TF76 1/20 0.36
LMNA P02545 2/20 0.35
MERTK Q12866 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PIN1 Q13526 2/20 0.35
KDR P35968 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL2762733 0.89 HTT (0.53) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2762603 0.89 HTT (0.47) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2763413 0.83 HTT (0.50) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4364798 0.79 ALDH1A1 (0.50) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4367250 0.74 HTT (0.56) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4936641 0.73 PIN1 (0.46) HTTALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL10845927 0.72 TLR4 (0.54) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL21642825 0.72 AKR1C3 (0.48) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL30724421 0.72 AKR1C3 (0.48) HTTALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2762667 0.72 HTT (0.56) HTTALDH1A1GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS HTT 1040/4885ALDH1A1 255/4885GAA 172/4885

“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.