SCHEMBL748869

SCHEMBL748869

NCCNC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.81
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
MAPT P10636 3/20 0.62
ALDH1A1 P00352 1/20 0.62
SPHK1 Q9NYA1 1/20 0.62
PARP10 Q53GL7 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60

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
SCHEMBL18614936 0.92 SPHK2 (0.69) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL7296744 0.87 SPHK2 (0.80) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL6716502 0.87 MEN1 (0.79) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL7287723 0.86 NPC1 (0.67) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL10289219 0.86 HDAC3 (0.78) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL32665557 0.85 SPHK2 (0.83) SPHK2SPHK1NR4A2MEN1KMT2A
SCHEMBL13380778 0.84 HPGD (0.65) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL7285707 0.84 HDAC3 (0.70) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL18614948 0.84 HDAC3 (0.70) SPHK2HDAC3HDAC1HDAC2HDAC4
SCHEMBL9626536 0.84 SPHK2 (0.67) SPHK2ALDH1A1NR4A2MEN1KMT2A

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 6 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
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO 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
US-4117157-A TREATMENT OF CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 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 SPHK2 2335/4885HDAC3 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.