Sugi Predict

Sugi Predict / Compounds / SCHEMBL234658

SCHEMBL234658

SCHEMBL234658

COc1ccccc1-c1csc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ ATP4A P20648 2/20 0.62
▸ ATP4B P51164 2/20 0.62
▸ CYP19A1 P11511 1/20 0.61
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MPL P40238 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LTA4H P09960 1/20 0.56
▸ VCP P55072 1/20 0.55
▸ HSP90AA1 P07900 2/20 0.54
▸ HSP90AB1 P08238 1/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ C1S P09871 1/20 0.50
▸ HPGDS O60760 1/20 0.50

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
SCHEMBL29796690 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EATP4AATP4BCYP19A1
Iodide SCHEMBL11486465 0.98 ALDH1A1 (0.61) ALDH1A1KDM4EATP4AATP4BCYP19A1
SCHEMBL29654054 0.92 CYP19A1 (0.66) ALDH1A1KDM4EATP4AATP4BCYP19A1
SCHEMBL27711558 0.83 CYP19A1 (0.61) ALDH1A1ATP4AATP4BCYP19A1KMT2A
SCHEMBL8695711 0.83 CYP19A1 (0.61) ALDH1A1ATP4AATP4BCYP19A1VCP
SCHEMBL12592149 0.82 MEN1 (0.65) ALDH1A1KDM4EATP4AATP4BKMT2A
SCHEMBL7228762 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1MPL
SCHEMBL23364837 0.82 MPL (0.53) ALDH1A1KDM4EATP4AATP4BCYP19A1
SCHEMBL29932883 0.82 MPL (0.53) ALDH1A1KDM4EATP4AATP4BCYP19A1
SCHEMBL30294202 0.81 VCP (0.64) ALDH1A1KDM4EATP4AATP4BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12313546-B2 Sensing devices and chemosensors and compositions relating thereto ROBERT BOSCH GMBH (DE) 2025-05-27 — — US disclosed
CN-115466229-A P-acylamino benzenesulfonyl compound and application thereof 上海中医药大学 2022-12-13 — — CN disclosed
US-20220034808-A1 SENSING DEVICES AND CHEMOSENSORS AND COMPOSITIONS RELATING THERETO ROBERT BOSCH GMBH (DE) 2022-02-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 — — US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 — — US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 — — US disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP 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
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 — — US 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 (5 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 ALDH1A1 546/4885KDM4E 44/4885ATP4A 1030/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 302/4885KDM4E 276/4885ATP4A 2125/4885
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 ALDH1A1 2247/4885KDM4E 4571/4885ATP4A 20/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 ALDH1A1 2247/4885KDM4E 4571/4885ATP4A 20/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885KDM4E 1215/4885ATP4A 4554/4885

“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.