Sugi Predict

Sugi Predict / Compounds / SCHEMBL1045949

SCHEMBL1045949

SCHEMBL1045949

CN(Cc1ccccc1)c1[c]cccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ AOC3 Q16853 1/20 0.45
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL4535438 0.80 TSHR (0.44) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL28339059 0.79 TSHR (0.42) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL10671402 0.79 SMN1; SMN2 (0.43) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL5554891 0.78 TSHR (0.56) TSHRALDH1A1AOC3LMNANR1H2
SCHEMBL700216 0.78 — —
SCHEMBL28339074 0.78 SMN1; SMN2 (0.45) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL7798532 0.77 ALDH1A1 (0.39) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL6554157 0.76 — —
SCHEMBL3817425 0.75 TSHR (0.42) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL28339065 0.75 CALM1 (0.46) TSHRMAOBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 — — US disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 — — US disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 — — EP disclosed
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2018-09-20 — — US disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 — — US disclosed
EP-1992607-B9 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-07-01 — — EP disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 — — US disclosed
EP-1992607-B1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2014-12-31 — — EP disclosed
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2013-11-21 — — US disclosed
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. 2013-07-04 — — US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 — — EP disclosed
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 — — EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 — — EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 — — US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 — — WO disclosed
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 — — US disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 — — EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 — — EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 — — WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 — — 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 (8 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-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 TSHR 4511/4885ALDH1A1 2769/4885AOC3 2352/4885
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 TSHR 4875/4885ALDH1A1 712/4885AOC3 3666/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 TSHR 4875/4885ALDH1A1 712/4885AOC3 3666/4885
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 TSHR 4511/4885ALDH1A1 2769/4885AOC3 2352/4885
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, CDKL4, IMPDH2 TSHR 4864/4885ALDH1A1 703/4885AOC3 3971/4885
US-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC TSHR 3212/4885ALDH1A1 604/4885AOC3 475/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT TSHR 4871/4885ALDH1A1 717/4885AOC3 3933/4885
US-20180265454-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 TSHR 4511/4885ALDH1A1 2769/4885AOC3 2352/4885

“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.