Sugi Predict

Sugi Predict / Compounds / SCHEMBL1353531

SCHEMBL1353531

SCHEMBL1353531

O=[N+]([O-])c1ccc(-n2cccn2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.57
▸ KMT2A Q03164 9/20 0.49
▸ LMNA P02545 5/20 0.45
▸ HIF1A Q16665 1/20 0.42
▸ MAPT P10636 9/20 0.42
▸ MEN1 O00255 8/20 0.42
▸ HTT P42858 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ KCNN4 O15554 1/20 0.40

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
SCHEMBL8810711 0.84 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL25256411 0.82 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL26981539 0.80 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAHIF1AMAPT
SCHEMBL14864874 0.80 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL7843920 0.79 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAHIF1AMAPT
SCHEMBL28827186 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL22165621 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL7828891 0.78 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAHIF1AMAPT
SCHEMBL29718791 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL2659793 0.77 CYP1A2 (0.51) ALDH1A1KMT2ALMNAHIF1AMAPT

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
WO-2023198209-A1 KIF18A INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-10-19 — — WO disclosed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 — — EP disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 — — US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 — — EP disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 — — EP disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 — — US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 — — EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 — — US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 — — WO disclosed
CN-1075073-C Hetero-aromatic ring substituted phenyloxazolidinone antimicrobials UPJOHN CO (US) 2001-11-21 — — CN disclosed
EP-0807112-B1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 2001-09-05 — — EP disclosed
US-6124334-A A BACTERICIDE TREATING INFECTIONS CAUSED BY GRAM-POSITIVE AEROBIC BACTERIA SUCH AS STAPHYLOCOCCUS, STREPTOCOCCUS AND ENTEROCOCCUS AS WELL AS ANAEROBIC ORGANISMS SUCH AS BACTEROIDES AND CLOSTRIDIUM AND MYCOBACTERIDIUM PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 — — US disclosed
US-5910504-A BACTERICIDES TREATING INFECTIONS PHARMACIA & UPJOHN (US) 1999-06-08 — — US disclosed
CN-1172484-A Phenyl oxazolidinone antibacterial agents substituted with heteroaromatic rings UPJOHN CO (US) 1998-02-04 — — CN disclosed
WO-1996023788-A1 HETERO-AROMATIC RING SUBSTITUTED PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA + UPJOHN COMPANY (US) 1996-08-08 — — 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 ALDH1A1 404/4885KMT2A 920/4885LMNA 4386/4885
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885KMT2A 1915/4885LMNA 3981/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 ALDH1A1 646/4885KMT2A 711/4885LMNA 4080/4885

“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.