Sugi Predict

Sugi Predict / Compounds / SCHEMBL2797010

SCHEMBL2797010

SCHEMBL2797010

O=[N+]([O-])c1cc(Cl)c(O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GPR35 Q9HC97 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TTR P02766 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 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
SCHEMBL811001 0.92 ALDH1A1 (0.53) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL6622426 0.89 TDP1 (0.53) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL309310 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35TDP1ATM
Bicarbonate SCHEMBL31047088 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL28892661 0.84 SNCA (0.55) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL29580289 0.84 TDP1 (0.52) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL14578462 0.84 TDP1 (0.52) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL123793 0.84 TDP1 (0.52) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL138641 0.82 TDP1 (0.50) ALDH1A1CYP3A4GPR35TDP1ATM
SCHEMBL30953155 0.82 TDP1 (0.50) ALDH1A1CYP3A4GPR35TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-11-07 — — US disclosed
US-20240299385-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS REWIND THERAPEUTICS NV (BE) 2024-09-12 — — US disclosed
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 — — EP disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 — — CN disclosed
EP-4347558-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS ReWind Therapeutics NV (BE) 2024-04-10 — — EP disclosed
CN-117794898-A 3-pyrrolylsulfonamide compounds as GPR17 antagonists 瑞文德医疗公众有限公司 2024-03-29 — — CN disclosed
CN-117658885-A Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-08 — — CN disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 — — WO disclosed
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 — — WO disclosed
CN-100343238-C Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 — — US disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 — — WO disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 — — US disclosed
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 — — CN disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 — — EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 — — WO disclosed
WO-2003029226-A1 HETEROCYCLYL SUBSTITUTED PHENOXYALKYL-, PHENYLTHIOALKYL-, PHENYLAMINOALKYL- AND PHENYLALKYL-SULFAMOYLCARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 — — 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 (4 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-20240368173-A1 TRICYCLIC GPR65 MODULATORS GPR65, GPR3, NR1H2 ALDH1A1 2926/4885CYP3A4 1077/4885GPR35 9/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ALDH1A1 3334/4885CYP3A4 1087/4885GPR35 1139/4885
US-20240299385-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS GPR3, GPR27, GPR65 ALDH1A1 3504/4885CYP3A4 2750/4885GPR35 10/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885CYP3A4 1781/4885GPR35 705/4885

“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.