SCHEMBL3920360

SCHEMBL3920360

O=[N+]([O-])c1ccc(Cl)c2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
VCAM1 P19320 8/20 0.41
CTSB P07858 1/20 0.37
P2RX7 Q99572 1/20 0.37
HSD17B10 Q99714 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL30799237 0.86 TDP1 (0.48) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL11003986 0.86 TDP1 (0.48) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL15845450 0.80 ALDH1A1 (0.43) TDP1ALDH1A1
SCHEMBL6362482 0.79 ALDH1A1 (0.47) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL3928266 0.79 ALDH1A1 (0.47) TDP1ALDH1A1TSHRMAPK1CTSB
SCHEMBL8959348 0.76 ALDH1A1 (0.45) TDP1ALDH1A1TSHRMAPK1CTSB
SCHEMBL930320 0.75 ALDH1A1 (0.46) TDP1ALDH1A1HSD17B10
SCHEMBL6537811 0.75 TDP1 (0.44) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL2599781 0.74 AHR (0.48) AHR
SCHEMBL15845436 0.73 ALDH1A1 (0.43) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506158-A Novel 6-5 series bicyclic heterocyclic derivative and medical application thereof SANWA KAGAKU KENKYUSHO CO (JP) 2009-08-12 CN disclosed
US-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2009-07-09 US disclosed
EP-2036887-A1 NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2009-03-18 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-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY TSHR, TRHR, THRA TDP1 4717/4885ALDH1A1 2560/4885TSHR 1/4885

“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.