SCHEMBL5527561

SCHEMBL5527561

Cc1ccc([N+](=O)[O-])cc1NC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ KMT2A Q03164 9/20 0.63
▸ ALDH1A1 P00352 6/20 0.62
▸ LMNA P02545 2/20 0.61
▸ HPGD P15428 3/20 0.60
▸ MAPT P10636 5/20 0.60
▸ POLB P06746 3/20 0.60
▸ MEN1 O00255 6/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAPK1 P28482 1/20 0.56
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL5520652 0.87 MAPT (0.64) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4320215 0.87 HTT (0.68) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL11332313 0.87 KMT2A (0.71) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4320209 0.87 HTT (0.68) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL14314822 0.86 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3808080 0.86 ALDH1A1 (0.65) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL31436924 0.86 ALDH1A1 (0.65) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1583292 0.86 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL30078131 0.86 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4107529 0.86 HTT (0.56) HTTSMN1; SMN2KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 HTT 583/4885SMN1; SMN2 1509/4885KMT2A 792/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HTT 500/4885SMN1; SMN2 1477/4885KMT2A 693/4885

“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.

Send feedback