Sugi Predict

Sugi Predict / Compounds / SCHEMBL681502

SCHEMBL681502

SCHEMBL681502

CNCc1cc(OC)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ NOS1 P29475 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ CALM1 P0DP23 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HTR7 P34969 1/20 0.42

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
SCHEMBL14043315 0.87 TSHR (0.43) ALDH1A1TSHRNOS1L3MBTL1MEN1
SCHEMBL18588973 0.86 TSHR (0.46) ALDH1A1TSHRNOS1L3MBTL1MEN1
SCHEMBL15211737 0.81 RXRA (0.43) ALDH1A1TSHRNOS1MEN1KMT2A
SCHEMBL14099346 0.81 ENPP2 (0.44) ALDH1A1TSHRNOS1L3MBTL1MEN1
SCHEMBL12481450 0.80 CA1 (0.46) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5252553 0.79 ALDH1A1 (0.65) ALDH1A1TSHRCYP19A1CALM1
SCHEMBL8436952 0.79 CHRM2 (0.53) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL11619531 0.79 TSHR (0.52) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL29370584 0.79 CHRM2 (0.68) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL297410 0.79 CHRM2 (0.68) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
EP-2888252-B1 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORP (US) 2017-06-07 — — EP claimed
US-20160264535-A1 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2016-09-15 — — US claimed
US-9328078-B2 Benzofurazan anti-amyloid compounds and methods TREVENTIS CORPORATION (US) 2016-05-03 — — US claimed
US-20150266838-A1 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION 2015-09-24 — — US claimed
EP-2888252-A2 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS Treventis Corporation (US) 2015-07-01 — — EP claimed
WO-2014031873-A2 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2014-02-27 — — WO claimed
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives HOFFMANN-LA ROCHE INC. 2002-07-25 — — US claimed
EP-4019516-A1 ASYMMETRIC PHASE TRANSFER CATALYSIS Merck Sharp & Dohme Corp. (US) 2022-06-29 — — EP disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 — — EP disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 — — US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 — — EP disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 — — US disclosed
WO-2002042280-A2 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 — — WO disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO disclosed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — 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 (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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ALDH1A1 3586/4885TSHR 4680/4885NOS1 4723/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 ALDH1A1 3517/4885TSHR 4681/4885NOS1 4704/4885
US-20150266838-A1 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS PRNP, TTR, PSEN1 ALDH1A1 1194/4885TSHR 2003/4885NOS1 1717/4885
US-20020099207-A1 2,4,5,-trisubstituted pyrimidine derivatives TACR1, TACR2, P2RY2 ALDH1A1 1117/4885TSHR 157/4885NOS1 1820/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 ALDH1A1 3238/4885TSHR 4525/4885NOS1 4434/4885
US-20160264535-A1 BENZOFURAZAN ANTI-AMYLOID COMPOUNDS AND METHODS PRNP, TTR, PSEN1 ALDH1A1 1194/4885TSHR 2003/4885NOS1 1717/4885

“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.