SCHEMBL3364773

SCHEMBL3364773

CCOC(=O)c1c(C)c(I)n(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
USP2 O75604 1/20 0.63
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
AR P10275 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL69046 0.81 KMT2A (0.69) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL11363402 0.80 KMT2A (1.00) KMT2AUSP2HPGDALDH1A1MAPT
SCHEMBL21408329 0.79 KMT2A (0.67) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL11788500 0.76 KMT2A (0.62) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL21408305 0.75 KMT2A (0.76) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL21408348 0.75 USP2 (0.77) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL17965819 0.74 KMT2A (0.59) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL388597 0.72 KMT2A (0.58) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL8194230 0.71 KMT2A (0.57) KMT2AUSP2HPGDALDH1A1HSD17B10
SCHEMBL11280355 0.71 KMT2A (0.57) KMT2AUSP2HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 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-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK KMT2A 4302/4885USP2 4709/4885HPGD 725/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK KMT2A 4302/4885USP2 4709/4885HPGD 725/4885

“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.