SCHEMBL10054020

SCHEMBL10054020

Cc1cc(Cl)c2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CYP3A4 P08684 2/20 0.34
NQO2 P16083 2/20 0.33
CYP19A1 P11511 1/20 0.33
EPHB4 P54760 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12505319 0.83 HDAC4 (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11089458 0.79 NMT1 (0.36) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12217144 0.79 NPC1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11081166 0.78 AHR (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9725006 0.78 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11926949 0.77 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14363137 0.75 SELL (0.41) ALDH1A1SMN1; SMN2CYP3A4NQO2CYP19A1
SCHEMBL12553089 0.75 NPC1 (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21370005 0.75 CYP3A4 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4492232 0.75 MAPT (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
US-20210230164-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2021-07-29 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2010-04-29 US disclosed
US-7671221-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-02 US disclosed
WO-2009006315-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR TREATING CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-08 WO disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
WO-2007087066-A2 1-(BENZO [D] [1,3] DI0X0L-5-YL) -N- (PHENYL) CYCLOPROPANE- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO 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 (7 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB ALDH1A1 1284/4885MAPT 4453/4885SMN1; SMN2 3131/4885
US-20210230164-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF TP53, MDM2, TP53BP1 ALDH1A1 479/4885MAPT 2808/4885SMN1; SMN2 2495/4885
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 ALDH1A1 549/4885MAPT 2212/4885SMN1; SMN2 3551/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885MAPT 4484/4885SMN1; SMN2 4738/4885
US-20100105739-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1961/4885MAPT 4484/4885SMN1; SMN2 4738/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885MAPT 4731/4885SMN1; SMN2 3332/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT ALDH1A1 312/4885MAPT 3943/4885SMN1; SMN2 3360/4885

“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.