Sugi Predict

Sugi Predict / Compounds / SCHEMBL572604

SCHEMBL572604

SCHEMBL572604

O=Cc1ccc(-c2ccncc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.66
▸ CYP2E1 P05181 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2B6 P20813 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ PRF1 P14222 3/20 0.51
▸ APP P05067 1/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL850645 0.79 CYP2A6 (1.00) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL70783 0.79 APP (0.67) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL27956631 0.78 CYP2A6 (0.69) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL7751921 0.78 MAPT (0.56) CYP3A4CYP2C9CYP2C19PRF1APP
SCHEMBL278904 0.78 DPP4 (0.65) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL10472980 0.76 APP (0.73) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL1134019 0.76 APP (0.54) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL7905308 0.76 APP (0.68) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL1133819 0.76 APP (0.54) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL1133750 0.76 APP (0.54) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 — — CN claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 — — CN claimed
JP-9241522-A — — None — — JP disclosed
CN-116969904-A Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-10-31 — — CN disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
CN-111148740-B Compounds useful as autophagy modulators, methods of preparation and uses thereof 微境生物医药科技(上海)有限公司 2023-08-25 — — CN disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 — — EP disclosed
US-20120196375-A1 Compositions and Methods for Detection of Soils on Fabrics THE SUN PRODUCTS CORPORATION (US) 2012-08-02 — — US disclosed
WO-2012019030-A2 COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS THE SUN PRODUCTS CORPORATION (US) 2012-02-09 — — WO disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 — — WO disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 — — CN disclosed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 — — CN disclosed
JP-H09241522-A 4-(2-THIENYL)PYRIDINE DERIVATIVE KDK CORP 1997-09-16 — — JP 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 CYP2A6 3300/4885CYP2E1 4295/4885CYP3A4 2423/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 CYP2A6 3300/4885CYP2E1 4295/4885CYP3A4 2423/4885

“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.