Sugi Predict

Sugi Predict / Compounds / SCHEMBL148553

SCHEMBL148553

SCHEMBL148553

[CH2]Cc1cccc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.41
▸ IDO1 P14902 5/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ MPO P05164 1/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ CYP2A13 Q16696 1/20 0.36
▸ CFD P00746 1/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL27684007 0.83 TAAR1 (0.39) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL17552713 0.79 PNMT (0.43) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL28092079 0.79 PNMT (0.43) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL3069271 0.79 PNMT (0.43) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL4411424 0.79 PNMT (0.43) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL559225 0.79 PNMT (0.67) PNMTIDO1AKR1B1MPOTAAR1
Bromide SCHEMBL1045488 0.77 PNMT (0.41) PNMTIDO1AKR1B1MPOTAAR1
Hydrochloric Acid SCHEMBL20589595 0.77 PNMT (0.64) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL8349402 0.77 AKR1B1 (0.43) PNMTIDO1AKR1B1MPOTAAR1
SCHEMBL3278229 0.77 AKR1B1 (0.43) PNMTIDO1AKR1B1MPOTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 — — EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 — — EP claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 — — CN disclosed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 — — CN disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 — — EP disclosed
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 — — US disclosed
US-9583719-B2 Carbazolocarbazol-bis(dicarboximides) and their use as semiconductors BASF SE (DE) 2017-02-28 — — US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 — — US disclosed
US-9385326-B2 Triangulene oligomers and polymers and their use as hole conducting material BASF SE (DE) 2016-07-05 — — US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 — — US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 — — US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 — — EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 — — US disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 — — EP disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 — — CN disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 — — EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 — — WO disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 — — 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 (3 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS PNMT 804/4885IDO1 1097/4885AKR1B1 875/4885
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 PNMT 1081/4885IDO1 2877/4885AKR1B1 643/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD PNMT 904/4885IDO1 1232/4885AKR1B1 2117/4885

“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.