SCHEMBL2409954

SCHEMBL2409954

c1ccc(-c2ccc(-c3ccon3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL139209 0.95 MDM2 (0.51) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8524430 0.93 MDM2 (0.50) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL27913095 0.89 MDM2 (0.47) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL4059081 0.88 CYP1A2 (0.57) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL27402049 0.85 MDM2 (0.45) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
Carbamic Acid SCHEMBL29154176 0.84 MDM2 (0.44) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL16175776 0.84 MDM2 (0.44) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
Tetrahydrofuran SCHEMBL27422789 0.82 MDM2 (0.43) MDM2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5947673 0.82 CYP1A2 (0.54) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Oxazole SCHEMBL27278480 0.79 RAB9A (0.43) MDM2CYP1A2CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130919-A Method and equipment for preparing 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonyl chloride JIANGSU YIJIA MEDICINE CO LTD 2015-12-09 CN claimed
CN-104193694-A Method for preparing parecoxib sodium intermediate CHENGDU XINJIE HI TECH DEV CO LTD 2014-12-10 CN claimed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
CN-105130919-A Method and equipment for preparing 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonyl chloride JIANGSU YIJIA MEDICINE CO LTD 2015-12-09 CN disclosed
CN-102884054-B Fluoroalkyl-substituted 2-amidobenzimidazoles and the use thereof for boosting stress tolerance in plants BAYER IP GMBH 2015-01-14 CN disclosed
CN-104193694-A Method for preparing parecoxib sodium intermediate CHENGDU XINJIE HI TECH DEV CO LTD 2014-12-10 CN disclosed
CN-103596947-A 3- or 5 - bi phenyl - 4 - ylisoxazole - based compounds useful for the treatment of fibrosis, pain, cancer and respiratory, allergic, nervous system or cardiovascular disorders AMIRA PHARMACEUTICALS INC 2014-02-19 CN disclosed
CN-102884054-A Fluoroalkyl-substituted 2-amidobenzimidazoles and the use thereof for boosting stress tolerance in plants BAYER IP GMBH 2013-01-16 CN disclosed
US-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
CN-1578774-A Process for preparing benzenesulfonyl compounds PHARMACIA CORP (US) 2005-02-09 CN 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-20110237595-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR1 MDM2 4206/4885CYP1A2 352/4885CYP2D6 271/4885

“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.