SCHEMBL10067684

SCHEMBL10067684

O=C1c2ccccc2CCN1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.50
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NOTUM Q6P988 9/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AR P10275 1/20 0.41
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL10067181 0.87 NPC1 (0.54) CYP11B2NOTUMHDAC6ARDRD1
SCHEMBL18804932 0.81 AR (0.40) NOTUMHDAC6AR
SCHEMBL15779129 0.77 CASP6 (0.57) BCAT2CYP11B1CYP11B2DRD3NPC1
SCHEMBL29163639 0.77 BCAT2 (0.65) BCAT2CYP11B1CYP11B2HDAC6DRD1
SCHEMBL29420242 0.77 BCAT2 (0.65) BCAT2CYP11B1CYP11B2HDAC6DRD1
SCHEMBL10066977 0.76 AR (0.55) NOTUMAR
SCHEMBL31134807 0.74 BCAT2 (0.65) BCAT2HDAC6DRD1NPC1RAB9A
SCHEMBL25209185 0.74 NOTUM (0.47) NOTUMRAB9A
SCHEMBL29420232 0.73 NPC1 (0.68) BCAT2CYP11B1CYP11B2HDAC6DRD1
SCHEMBL2600444 0.73 NPC1 (0.68) BCAT2CYP11B1CYP11B2HDAC6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323813-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-08-26 EP disclosed
EP-3323813-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2018-05-23 EP disclosed
EP-2654428-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF UNIV COLUMBIA (US) 2018-02-14 EP disclosed
US-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-04 US disclosed
WO-2012088420-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-06-28 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 (1 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-20170121276-A1 HISTONE ACETYLTRANSFERASE MODULATORS AND USES THEREOF EP300, KAT2A, HTT BCAT2 636/4885CYP11B1 4657/4885CYP11B2 4770/4885

“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.