Sugi Predict

Sugi Predict / Compounds / SCHEMBL3045013

SCHEMBL3045013

SCHEMBL3045013

O=CC(Cl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.50
▸ TAAR1 Q96RJ0 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL15317143 1.00 EPHX1 (0.50) EPHX1TAAR1MEN1KMT2ACYP1A2
SCHEMBL10974668 0.80 SLC6A4 (0.50) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL10974742 0.78 MME (0.40) TAAR1MEN1KMT2A
SCHEMBL29138730 0.78 FAAH (0.44) EPHX1MEN1KMT2APTGS1ALDH1A1
SCHEMBL4011260 0.78 TRPA1 (0.41) TAAR1LMNAACECPA1
SCHEMBL11196169 0.78 ACE (0.45) MEN1KMT2ACYP1A2ALDH1A1ACE
SCHEMBL11568409 0.78 PNMT (0.55) TAAR1SLC6A2SLC6A4ALDH1A1
SCHEMBL29869064 0.78 PNMT (0.55) TAAR1SLC6A2SLC6A4ALDH1A1
SCHEMBL9171307 0.77 CYP1A2 (0.45) EPHX1TAAR1CYP1A2ALPIPKM
SCHEMBL3811256 0.77 EPHX1 (0.44) EPHX1TAAR1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220151892-A1 A HAIR STRAIGHTENING OR HAIR STYLING COMPOSITION AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-05-19 — — US claimed
CN-113573686-A A composition for straightening or styling hair and its application method 埃斯普投资有限公司 2021-10-29 — — CN claimed
CN-107880059-A A kind of thiazole and dihydro quaternary carbon pyrans skeleton thing and its crystal and preparation method 中国医药集团总公司四川抗菌素工业研究所 2018-04-06 — — CN claimed
US-12583870-B2 Azaheteroaryl compound and application thereof SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2026-03-24 — — US disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 — — US disclosed
CN-112409385-B Azaaryl compounds and uses thereof 上海青煜医药科技有限公司 2024-08-13 — — CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 — — CN disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 — — CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 — — CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 — — US disclosed
US-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 — — US disclosed
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 — — US disclosed
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 — — US disclosed
CN-102844320-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2012-12-26 — — CN disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 — — US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 — — US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 — — US disclosed
WO-2007124494-A2 ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 — — WO disclosed
WO-2007124494-A2 ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 — — WO disclosed
US-4415738-A Process for the production thiazolines-(3) DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-11-15 — — 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 (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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 EPHX1 761/4885TAAR1 4536/4885MEN1 3700/4885
US-12583870-B2 Azaheteroaryl compound and application thereof NR3C1, EED, EZH2 EPHX1 677/4885TAAR1 2008/4885MEN1 3537/4885
US-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 EPHX1 269/4885TAAR1 3815/4885MEN1 191/4885
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS IDH1, MDM4, PCNA EPHX1 1013/4885TAAR1 1266/4885MEN1 643/4885
US-20220151892-A1 A HAIR STRAIGHTENING OR HAIR STYLING COMPOSITION AND METHOD OF USE THEREOF SUCLG1, POLR1C, PRKDC EPHX1 4452/4885TAAR1 547/4885MEN1 1788/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 EPHX1 293/4885TAAR1 2733/4885MEN1 1807/4885

“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.