Sugi Predict

Sugi Predict / Compounds / SCHEMBL496431

SCHEMBL496431

SCHEMBL496431

Cc1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ TOP2A P11388 2/20 0.46
▸ ELANE P08246 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL6840173 0.86 ELANE (0.44) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL7446156 0.85 PARP1 (0.53) ALDH1A1ELANE
SCHEMBL1398896 0.82 TOP2A (0.59) ALDH1A1TOP2AELANEKDM4EHPGD
SCHEMBL19657670 0.82 PLK1 (0.46) ALDH1A1TOP2AELANEKMT2AESR1
SCHEMBL2955256 0.81 MYC (0.49) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL4791688 0.81 MAOB (0.50) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL206232 0.80 TOP2A (0.56) MAOBIDO1MAOAALDH1A1TOP2A
SCHEMBL21807110 0.80 TOP2A (0.44) ALDH1A1TOP2AELANEKDM4EHPGD
SCHEMBL982923 0.80 TSHR (0.53) MAOBMAOAALDH1A1TOP2AKDM4E
SCHEMBL9266873 0.79 MAOB (0.49) MAOBIDO1MAOAALDH1A1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 — — CN claimed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 — — CN claimed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US claimed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US claimed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 — — CN claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US claimed
CN-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 — — CN claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 — — EP claimed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 — — EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 — — US claimed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 — — US claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 — — WO claimed
CN-101641342-A Thiazolidine derivatives ACTELION PHARMACEUTICAL LTD CH 2010-02-03 — — CN claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO claimed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 — — EP claimed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 — — WO claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 — — EP claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 — — WO claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 — — WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MAOB 473/4885IDO1 953/4885MAOA 716/4885
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MAOB 819/4885IDO1 825/4885MAOA 767/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAOB 251/4885IDO1 415/4885MAOA 304/4885

“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.