SCHEMBL16429142

SCHEMBL16429142

COc1cccc(-c2cc(F)ccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
FYN P06241 2/20 0.49
RPS6KA3 P51812 1/20 0.49
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL27632212 0.83 MIF (0.55) HDAC4HDAC8THRATHRBFYN
SCHEMBL14832084 0.83 RPS6KA3 (0.55) HDAC4HDAC8FYNRPS6KA3CYP1A2
SCHEMBL10094666 0.82 ABL1 (0.51) RPS6KA3ALOX15CYP1A2CYP3A4CYP2D6
SCHEMBL18087561 0.82 ACHE (0.53) HDAC4HDAC8THRATHRBFYN
SCHEMBL4970056 0.82 CYP1A2 (0.53) HDAC4HDAC8FYNALOX15CYP1A2
SCHEMBL16428977 0.81 ESR2 (0.53) THRBFYNALOX15MEN1NPC1
SCHEMBL6572257 0.81 FYN (0.55) HDAC4HDAC8THRATHRBFYN
SCHEMBL10014739 0.80 AKR1C3 (0.58) RPS6KA3ALOX15NPC1RAB9ACYP1A2
SCHEMBL3362978 0.80 HDAC4 (0.62) HDAC4HDAC8MEN1USP2KMT2A
Hydrochloric Acid SCHEMBL6781218 0.79 FYN (0.54) HDAC4HDAC8THRATHRBFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC8 1205/4885THRA 58/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC8 1205/4885THRA 58/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 HDAC4 515/4885HDAC8 1205/4885THRA 58/4885

“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.