SCHEMBL9931306

SCHEMBL9931306

O=C(O)NCc1nc2cc(Br)ccc2n1CCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HDAC1 Q13547 5/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 4/20 0.43
HTT P42858 1/20 0.42
PPARG P37231 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
TBXA2R P21731 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 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
SCHEMBL9968760 0.83 L3MBTL1 (0.41) KDM4EHDAC1KMT2AMEN1HDAC8
SCHEMBL9931328 0.79 KDM4E (0.49) KDM4EHDAC1KMT2AHDAC8HTT
SCHEMBL10298786 0.78 HDAC1 (0.54) KDM4EHDAC1KMT2AMEN1HDAC8
SCHEMBL27866535 0.75 JAK2 (0.46) KDM4EHDAC1HDAC8HTTPPARG
SCHEMBL421355 0.74 GNRHR (0.48) HDAC1HDAC8PPARGSMN1; SMN2TP53
SCHEMBL6893748 0.73 HDAC1 (0.43) HDAC1HDAC8TBXA2R
SCHEMBL10298662 0.72 KCNH2 (0.44) KDM4EHDAC1KMT2AHTTTP53
SCHEMBL16176599 0.71 PPARG (0.43) HDAC1HDAC8HTTPPARGTP53
SCHEMBL27885535 0.71 KDM4E (0.47) KDM4EHDAC1KMT2AHDAC8HTT
SCHEMBL12636229 0.71 HDAC6 (0.45) KDM4EHDAC1HTTTBXA2RPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
WO-2012088124-A2 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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 (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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R KDM4E 630/4885HDAC1 1363/4885KMT2A 636/4885

“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.