Sugi Predict

Sugi Predict / Compounds / SCHEMBL772636

SCHEMBL772636

SCHEMBL772636

Cc1cc([N+](=O)[O-])c(N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD44 P16070 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ TSHR P16473 4/20 0.52
▸ MAPT P10636 6/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MCL1 Q07820 1/20 0.44
▸ L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL28465623 0.98 CD44 (0.52) CD44ALDH1A1CYP3A4TSHRMAPT
SCHEMBL404330 0.92 CD44 (0.54) CD44ALDH1A1CYP3A4TSHRMAPT
SCHEMBL1455155 0.85 ALDH1A1 (0.62) CD44ALDH1A1CYP3A4TSHRMAPT
SCHEMBL838256 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL772624 0.84 CYP1A2 (0.48) ALDH1A1CYP3A4TSHRMAPTRECQL
SCHEMBL348272 0.84 TSHR (0.59) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL1193334 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL30458055 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRMAPTMEN1
SCHEMBL80032 0.82 PPIA (0.47) ALDH1A1CYP3A4TSHRMAPTRECQL
SCHEMBL864500 0.82 TSHR (0.50) ALDH1A1CYP3A4TSHRRECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2022-01-06 — — US disclosed
US-11059832-B2 HPK1 inhibitors and methods of using same UNIVERSITY HEALTH NETWORK (CA) 2021-07-13 — — US disclosed
EP-3322711-B1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIV HEALTH NETWORK (CA) 2021-03-10 — — EP disclosed
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2020-06-18 — — US disclosed
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME UNIVERSITY HEALTH NETWORK (CA) 2018-06-28 — — US disclosed
EP-3322711-A1 HPK1 INHIBITORS AND METHODS OF USING SAME University Health Network (CA) 2018-05-23 — — EP disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 — — US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 — — US disclosed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福（国际）股份公司 2017-02-08 — — CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 — — EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — WO disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 — — US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 — — EP disclosed
EP-1089982-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BetzDearborn Inc (US) 2001-04-11 — — EP disclosed
WO-1999067222-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC. (US) 1999-12-29 — — WO disclosed
US-5968408-A ODORLESS BETZDEARBORN INC. (US) 1999-10-19 — — US disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 — — US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 — — 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 (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-11059832-B2 HPK1 inhibitors and methods of using same PDXK, PDK3, PDK2 CD44 4245/4885ALDH1A1 2442/4885CYP3A4 1770/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 CD44 4332/4885ALDH1A1 4541/4885CYP3A4 4663/4885
US-20180179221-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 CD44 4245/4885ALDH1A1 2442/4885CYP3A4 1770/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 CD44 4880/4885ALDH1A1 824/4885CYP3A4 602/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 CD44 4838/4885ALDH1A1 316/4885CYP3A4 190/4885
US-20220002313-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 CD44 4260/4885ALDH1A1 2458/4885CYP3A4 1713/4885
US-20200190104-A1 HPK1 INHIBITORS AND METHODS OF USING SAME PDXK, PDK3, PDK2 CD44 4245/4885ALDH1A1 2442/4885CYP3A4 1770/4885

“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.