SCHEMBL751304

SCHEMBL751304

NCCNC(=O)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.59
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
NCOR2 Q9Y618 2/20 0.59
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
SPHK2 Q9NRA0 1/20 0.55
SYK P43405 3/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50

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
SCHEMBL751316 0.92 FFAR1 (0.58) HDAC2HDAC3HDAC1NCOR2CA2
SCHEMBL28778912 0.83 CA1 (0.64) HDAC2HDAC3HDAC1NCOR2CA2
SCHEMBL22387576 0.81 HDAC6 (0.68) HDAC2HDAC3HDAC1NCOR2CA2
SCHEMBL731620 0.81 CYP1A2 (0.67) HDAC2HDAC3HDAC1SPHK2CYP1A2
SCHEMBL748843 0.80 MEN1 (0.61) HDAC1CA2CA1SPHK2CYP1A2
SCHEMBL20132433 0.80 HDAC1 (0.71) HDAC2HDAC3HDAC1NCOR2CA2
Hydrochloric Acid SCHEMBL1579939 0.79 MEN1 (0.68) HDAC2HDAC3HDAC1SPHK2CYP1A2
SCHEMBL3861146 0.79 MAOB (0.81) SPHK2CYP1A2TSHRNFKB1MAOB
SCHEMBL749730 0.78 MAOB (0.60) CA2CA1SPHK2CYP1A2TSHR
SCHEMBL10077477 0.78 NFKB1 (0.60) HDAC3HDAC1SPHK2CYP1A2TSHR

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 2 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-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 HDAC2 527/4885HDAC3 498/4885HDAC1 371/4885

“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.