SCHEMBL8183

SCHEMBL8183

Oc1ccc(F)cc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
IDO1 P14902 2/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 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
SCHEMBL31349669 0.87 NPC1 (0.48) CA9CA3CA6CA5ACA14
SCHEMBL31549500 0.87 NPC1 (0.48) CA9CA3CA6CA5ACA14
SCHEMBL23693761 0.85 CA9 (0.54) CA9CA3CA6CA5ACA14
SCHEMBL29886926 0.85 CA9 (0.54) CA9CA3CA6CA5ACA14
SCHEMBL18338750 0.84 ACMSD (0.48) CA9ACMSDNPC1KDM4EPTPN1
SCHEMBL8059885 0.84 IDO1 (0.57) CA9CA3CA6CA5ACA14
SCHEMBL28591424 0.83 CA12 (0.49) CA9ACMSDKDM4ECASP3SENP8
SCHEMBL31716549 0.83 CA3 (0.52) CA9CA3CA6CA5ACA14
SCHEMBL16429102 0.83 CA1 (0.51) CA9CA3CA6CA5ACA14
SCHEMBL9107868 0.82 ACMSD (0.47) CA9ACMSDNPC1KDM4EL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239427-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2020-07-30 US claimed
EP-3444242-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2019-02-20 EP claimed
EP-3050876-A2 KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2016-08-03 EP claimed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP claimed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO claimed
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 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 (4 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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 CA9 4843/4885CA3 4515/4885CA6 4622/4885
US-20200239427-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB CA9 4814/4885CA3 4767/4885CA6 4576/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CA9 4843/4885CA3 4515/4885CA6 4622/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CA9 4843/4885CA3 4515/4885CA6 4622/4885

“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.