SCHEMBL8308042

SCHEMBL8308042

Nc1ccccc1C#Cc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GRM5 P41594 4/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NTSR1 P30989 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
SCHEMBL2491796 0.78 GRM5 (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL1922269 0.78 CYP3A4 (0.76) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28704098 0.78 GRM5 (0.40) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19133191 0.77 GRM5 (0.49) ALDH1A1MAPTHSD17B10GRM5ADK
SCHEMBL29001511 0.77 GRM5 (0.41) GRM5ADKFFAR1ERN1
SCHEMBL28367437 0.77 GRM5 (0.51) CYP3A4CYP1A2CYP2C19ALDH1A1MAPT
Charcoal, Activated SCHEMBL31286311 0.76 GRM5 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL31317051 0.74 NPC1 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL23291757 0.73 FFAR1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL15896161 0.73 ERN1 (0.47) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 — — US disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 — — US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 — — US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 — — EP disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 — — EP disclosed
US-11618747-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2023-04-04 — — US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 — — US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 — — US disclosed
EP-3814331-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY Phenex-FXR GmbH (DE) 2021-05-05 — — EP disclosed
EP-0650599-B1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS ISLE OF MAN LIMITED (GB) 1999-11-03 — — 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-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 CYP3A4 884/4885CYP1A2 647/4885CYP2C9 1166/4885
US-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 CYP3A4 524/4885CYP1A2 326/4885CYP2C9 1030/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 CYP3A4 638/4885CYP1A2 386/4885CYP2C9 749/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 CYP3A4 524/4885CYP1A2 326/4885CYP2C9 1030/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 CYP3A4 823/4885CYP1A2 624/4885CYP2C9 1584/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 CYP3A4 823/4885CYP1A2 624/4885CYP2C9 1584/4885

“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.

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