SCHEMBL4868796

SCHEMBL4868796

Cc1cccc2cc([N+](=O)[O-])c(Cl)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL4871533 0.81 TSHR (0.46) TSHRSMN1; SMN2HSD17B10L3MBTL1ALDH1A1
SCHEMBL15673222 0.76 MAPT (0.64) TSHRSMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL9732163 0.76 DRD4 (0.53) SMN1; SMN2L3MBTL1MAPTGAADRD4
SCHEMBL1625327 0.74 CYP1A2 (0.44) TSHRSMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL30242608 0.74 CYP1A2 (0.44) TSHRSMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL24971012 0.74 DRD4 (0.51) SMN1; SMN2L3MBTL1ALDH1A1MAPTGAA
SCHEMBL31142923 0.74 DRD4 (0.51) SMN1; SMN2L3MBTL1ALDH1A1MAPTGAA
SCHEMBL2425847 0.73 HTT (0.58) TSHRL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL22410631 0.73 ALDH1A1 (0.57) TSHRSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL30946653 0.73 CYP1A2 (0.43) TSHRSMN1; SMN2HSD17B10ALDH1A1MAPT

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
WO-2020182929-A1 SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 WO disclosed
US-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US disclosed
EP-1599473-B1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2006-09-20 EP disclosed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US disclosed
CN-1751043-A Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-03-22 CN disclosed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 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-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors NOS2, NOS1, NOS3 TSHR 1789/4885SMN1; SMN2 4287/4885HSD17B10 1209/4885

“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.