SCHEMBL235435

SCHEMBL235435

COc1cccc(-c2csc(N)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.67
ALDH1A1 P00352 7/20 0.66
RAB9A P51151 7/20 0.66
NPC1 O15118 6/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
POLB P06746 1/20 0.66
ATP4A P20648 1/20 0.64
ATP4B P51164 1/20 0.64
CYP19A1 P11511 1/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HK1 P19367 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
AR P10275 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL29654075 0.93 CYP19A1 (0.67) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL22801080 0.84 RAB9A (0.73) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL1180783 0.84 CYP19A1 (0.76) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3767912 0.84 CYP19A1 (0.63) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL201741 0.84 CYP19A1 (0.63) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5328219 0.83 ALDH1A1 (0.69) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL18282161 0.83 CYP19A1 (0.66) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL30118253 0.82 NPC1 (0.68) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28911472 0.82 NPC1 (0.68) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8362957 0.82 ATP4A (0.62) LTA4HALDH1A1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors FORSCHUNGSVERBUND BERLIN E.V. (DE) 2025-03-11 US disclosed
CN-115466229-B Para-amidobenzenesulfonyl compound and application thereof 上海中医药大学 2025-01-24 CN disclosed
EP-3802530-B1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN EV (DE) 2024-05-29 EP disclosed
CN-116854683-A Coumarin thiazole derivative and preparation method and application thereof 中北大学 2023-10-10 CN disclosed
CN-115466229-A P-acylamino benzenesulfonyl compound and application thereof 上海中医药大学 2022-12-13 CN disclosed
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2022-10-20 US disclosed
CN-111116575-B 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof 浙江工业大学 2021-06-15 CN disclosed
EP-3802530-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS Forschungsverbund Berlin E.V. (DE) 2021-04-14 EP disclosed
CN-111116575-A 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof 浙江工业大学 2020-05-08 CN disclosed
WO-2019234237-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-12-12 WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 US disclosed
WO-2006010629-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-02-02 WO disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 WO disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 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 (6 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 LTA4H 1837/4885ALDH1A1 546/4885RAB9A 4378/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 LTA4H 2321/4885ALDH1A1 302/4885RAB9A 2823/4885
US-12247029-B2 Heterocyclic compounds as class II phosphoinositide 3-kinase inhibitors PIK3CA, PIK3CD, PIK3C2B LTA4H 3032/4885ALDH1A1 4380/4885RAB9A 1085/4885
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 LTA4H 535/4885ALDH1A1 2247/4885RAB9A 2028/4885
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 LTA4H 1215/4885ALDH1A1 95/4885RAB9A 3800/4885
US-20220332717-A1 HETEROCYCLIC COMPOUNDS AS CLASS II PHOSPHOINOSITIDE 3-KINASE INHIBITORS PIK3CA, PIK3CD, PIK3C2B LTA4H 3032/4885ALDH1A1 4380/4885RAB9A 1085/4885

“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.