SCHEMBL9041985

SCHEMBL9041985

CCC(=O)c1ccc(Cl)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.59
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAPK1 P28482 2/20 0.46
HSP90AB1 P08238 1/20 0.46
HIF1A Q16665 1/20 0.46
NOS2 P35228 2/20 0.46
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL30249612 1.00 ABL1 (0.59) ABL1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL7447640 0.86 ABL1 (0.56) ABL1ALDH1A1KDM4ESMN1; SMN2FLT1
SCHEMBL2079618 0.85 NOS2 (0.60) ABL1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL4043568 0.83 ALDH1A1 (0.67) ABL1ALDH1A1KDM4ESMN1; SMN2FLT1
SCHEMBL8129402 0.81 ABL1 (0.54) ABL1ALDH1A1KDM4ESMN1; SMN2FLT1
Hydrochloric Acid SCHEMBL4046791 0.81 ALDH1A1 (0.65) ABL1ALDH1A1KDM4ESMN1; SMN2FLT1
SCHEMBL9559750 0.81 HSP90AB1 (0.48) ABL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29712843 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1144066 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17483639 0.80 ABL1 (0.53) ABL1ALDH1A1KDM4ESMN1; SMN2MEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN claimed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
CN-109843322-A The inhibitor and its application method of indole amine 2,3-dioxygenase 百时美施贵宝公司 2019-06-04 CN disclosed
CN-106488910-A Inhibitors of kras g12c 亚瑞克西斯制药公司 2017-03-08 CN disclosed
CN-105408320-A 3-(aryl or heteroaryl) methyleneindolin-2-one derivatives as inhibitors of cancer stem cell pathway kinases for the treatment of cancer BOSTON BIOMEDICAL INC 2016-03-16 CN disclosed
CN-104768947-A [ 3-heteroaryl-2-trifluoromethyl-propyl ] -piperidin-1-yl or-morpholin-4-yl compounds as TRPA1 antagonists for the treatment of respiratory diseases HOFFMANN LA ROCHE 2015-07-08 CN disclosed
CN-102924458-B 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2014-11-05 CN disclosed
CN-103476754-A Adamantyl compounds HOFFMANN LA ROCHE 2013-12-25 CN disclosed
CN-102924458-A 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARM INC 2013-02-13 CN disclosed
CN-102459195-A Substituted 1-alkylcinnolin-4 (1H) -one derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2012-05-16 CN disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN disclosed
CN-1960993-A 6, 6-bicyclic substituted heterobicyclic protein kinase inhibitors OSI PHARM INC (US) 2007-05-09 CN disclosed
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
EP-0325247-B1 CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP disclosed
US-5061800-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-10-29 US disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 ABL1 1523/4885ALDH1A1 136/4885KDM4E 4057/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ABL1 2939/4885ALDH1A1 617/4885KDM4E 3644/4885

“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.