SCHEMBL385688

SCHEMBL385688

[c]1ccc(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2E1 P05181 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
PTP4A3 O75365 1/20 0.32
NQO2 P16083 1/20 0.31
HDAC1 Q13547 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAOA P21397 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL4410865 0.95 ALDH1A1 (0.41) ALDH1A1CYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL10717926 0.89 ALDH1A1 (0.33) ALDH1A1HDAC1MAPK1
SCHEMBL9696786 0.88 CYP1A2 (0.32) CYP2A6
SCHEMBL10470838 0.85 HSD17B1 (0.46) ALDH1A1CYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL10472981 0.83 APP (0.36) ALDH1A1CYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL10472857 0.80 CYP2A6 (0.30) CYP2A6CYP2B6
SCHEMBL1416554 0.79 HSD17B1 (0.47) HSD17B1HSD17B2RAB9AMEN1KMT2A
SCHEMBL1416520 0.79 ALOX5 (0.40) RAB9ATAAR1NPC1ESR2
SCHEMBL1416534 0.79 ACHE (0.41) ALDH1A1HSD17B1HSD17B2RAB9AMEN1
SCHEMBL1416461 0.76 ACHE (0.36) ALDH1A1CYP2C9CYP2C19HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-117042558-A Modification method of electron transport layer and organic solar cell prepared by modification method 南开大学 2023-11-10 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
WO-2023026185-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME ARENA PHARMACEUTICALS, INC. (US) 2023-03-02 WO claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-115353875-A Fluorescent coding microsphere, preparation method and application thereof, and diagnostic kit 苏州纳微生命科技有限公司 2022-11-18 CN claimed
CN-108601354-B Use of active substances for controlling plant virus infections 拜耳作物科学股份公司 2021-07-27 CN claimed
CN-109678900-B Sulfanilamide derivative and preparation method and application thereof 遵义医科大学 2021-05-11 CN claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
CN-1312799-A Bispiperidines as antithrombotic agents L LAB (FR) 2001-09-12 CN claimed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP claimed
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 WO claimed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO claimed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO claimed
US-4105663-A HYPOTENSIVE, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-08-08 US claimed
US-4093628-A HYPOTENSIVE AGENTS, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 US claimed
US-4082772-A HYPOTENSIVE AGENTS, B-ADRENERGIC BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-04-04 US claimed
US-4024156-A Thiophene ethanolamines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-17 US claimed
US-3932389-A ANTIULCER AGENTS PFIZER INC. (US) 1976-01-13 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 700/4885CYP2E1 1190/4885CYP2A6 756/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885CYP2E1 1231/4885CYP2A6 788/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 682/4885CYP2E1 1231/4885CYP2A6 788/4885

“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.