SCHEMBL751316

SCHEMBL751316

NCCNC(=O)c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.58
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
HDAC1 Q13547 8/20 0.57
HDAC3 O15379 4/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
FFAR4 Q5NUL3 1/20 0.56
NCOR2 Q9Y618 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL751304 0.92 HDAC2 (0.59) FFAR1HDAC1HDAC3HDAC2HDAC8
SCHEMBL18759244 0.86 NPC1 (0.64) EPHX2NR1H4HDAC1HDAC3HDAC2
SCHEMBL30690073 0.82 HDAC6 (0.73) FFAR1EPHX2NR1H4HDAC1HDAC3
SCHEMBL11257944 0.80 FFAR1 (0.71) FFAR1EPHX2NR1H4HDAC1HDAC3
SCHEMBL749691 0.80 HDAC1 (0.58) FFAR1EPHX2NR1H4HDAC1HDAC3
SCHEMBL16492521 0.77 DRD2 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL22387576 0.77 HDAC6 (0.68) EPHX2NR1H4HDAC1HDAC3HDAC2
SCHEMBL731620 0.76 CYP1A2 (0.67) EPHX2HDAC1HDAC3HDAC2HDAC4
SCHEMBL19006636 0.76 FFAR1 (0.73) FFAR1FFAR4CA1CA2MEN1
SCHEMBL748843 0.76 MEN1 (0.61) HDAC1CA1CA2MEN1KMT2A

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 FFAR1 588/4885EPHX2 917/4885NR1H4 1279/4885

“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.