SCHEMBL3919249

SCHEMBL3919249

Cc1ccc([N+](=O)[O-])c2c1NC(C)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 5/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
PNMT P11086 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL3926578 0.71 TSHR (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8304121 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL27609029 0.70 TDP1 (0.43) CREBBPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14256009 0.69 PNMT (0.49) ALDH1A1SMN1; SMN2KMT2AGAATSHR
SCHEMBL27471871 0.68 TSHR (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL11902169 0.68 CASP6 (0.35) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL11901655 0.68 CASP6 (0.35) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL11901653 0.68 CASP6 (0.35) ALDH1A1SMN1; SMN2GAAHSD17B10TSHR
SCHEMBL10830897 0.66 MAOA (0.49) CREBBPALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16269182 0.65 PNMT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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 CREBBP 1097/4885ALDH1A1 2560/4885SMN1; SMN2 4792/4885

“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.