SCHEMBL3012005

SCHEMBL3012005

CC1(C)N=C(Cl)c2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PTPRC P08575 3/20 0.40
POLB P06746 2/20 0.40
S100A4 P26447 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
GPR3 P46089 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 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
SCHEMBL3023244 0.83 HSD17B10 (0.37) HSD17B10ALDH1A1TDP1CYP3A4MAPT
SCHEMBL3028123 0.81 MAPT (0.41) HSD17B10ALDH1A1TDP1MAPTMEN1
SCHEMBL3025018 0.76 MAPT (0.39) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL3029267 0.72 PDE4A (0.37) HSD17B10ALDH1A1TDP1CYP3A4MAPT
SCHEMBL31217591 0.71 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL1711531 0.71 ALDH1A1 (0.37) HSD17B10ALDH1A1TDP1MAPTKDM4E
SCHEMBL8121276 0.70 HSD17B10 (0.37) HSD17B10ALDH1A1TDP1CYP3A4MAPT
SCHEMBL3029707 0.69 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL9424845 0.67 CYP1A2 (0.54) HSD17B10ALDH1A1TDP1CYP3A4MAPT
SCHEMBL10920807 0.66 HSD17B10 (0.46) HSD17B10ALDH1A1TDP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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 (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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R HSD17B10 649/4885ALDH1A1 4156/4885TDP1 4873/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R HSD17B10 578/4885ALDH1A1 4064/4885TDP1 4885/4885

“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.