SCHEMBL1891764

SCHEMBL1891764

O=C(O)c1ccc2ccsc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.55
CHRNA7 P36544 4/20 0.49
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HKDC1 Q2TB90 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 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
SCHEMBL30445266 1.00 MRGPRX4 (0.55) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL31483491 0.98 MRGPRX4 (0.54) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
Benzothiophene SCHEMBL28098086 0.91 MRGPRX4 (0.52) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL30489890 0.84 CTNNB1 (0.63) MRGPRX4CHRNA7HTR3AKDM4ENPC1
SCHEMBL573187 0.84 CTNNB1 (0.63) MRGPRX4CHRNA7HTR3AKDM4ENPC1
SCHEMBL3797885 0.82 CA2 (0.49) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL29503162 0.82 LCK (0.48) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL3354553 0.82 LCK (0.48) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL19756724 0.82 CHRNA7 (0.45) MRGPRX4CHRNA7HTR3AHTR3EHTR3B
SCHEMBL27590100 0.80 CHRNA7 (0.43) MRGPRX4CHRNA7HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118715206-A Novel HDAC inhibitors and therapeutic uses thereof 探戈医药股份有限公司 2024-09-27 CN disclosed
WO-2024085695-A1 NOVEL ALTIRATINIB DERIVATIVE, MANUFACTURING METHOD THEREFOR, AND COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION, ALLEVIATION, OR TREATMENT OF SKIN PIGMENTATION 재단법인 아산사회복지재단 2024-04-25 WO disclosed
WO-2024042187-A1 NOVEL SUBSTITUTED BENZOTHIOPHENE-6-CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-02-29 WO disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
WO-2023109461-A1 BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 2023-06-22 WO disclosed
CN-116265458-A Benzothiophene derivative, preparation method and application thereof 中国科学院上海药物研究所 2023-06-20 CN disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
CN-111377934-B Heterocyclic compound, preparation and application thereof 中国科学院上海药物研究所 2023-01-24 CN disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
US-10980778-B2 Methods for treating multiple osteochondroma (MO) Clementia Pharmaceuticals Inc. (CA) 2021-04-20 US disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO disclosed
EP-0664792-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-01-05 EP disclosed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
US-5721253-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-24 US disclosed
EP-0664792-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-09-25 EP disclosed
US-5559127-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-09-24 US disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
EP-0664792-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-08-02 EP disclosed
WO-1994008962-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 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 (2 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-10980778-B2 Methods for treating multiple osteochondroma (MO) UTRN, VHL, SOST MRGPRX4 459/4885CHRNA7 3001/4885HTR3A 2446/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA MRGPRX4 1876/4885CHRNA7 2969/4885HTR3A 4353/4885

“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.