SCHEMBL14743451

SCHEMBL14743451

CC(C)c1cnccc1C(=O)NN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
MPO P05164 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4C Q9H3R0 6/20 0.44
KDM6B O15054 3/20 0.44
ALDH1A1 P00352 4/20 0.42
P2RX7 Q99572 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 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
SCHEMBL13086655 0.85 KDM4C (0.45) KDM4EKDM4CKDM6BALDH1A1GLA
SCHEMBL798742 0.84 KDM4C (0.42) KDM4CKDM6BALDH1A1GAAKMT2A
SCHEMBL16094860 0.81 TDP1 (0.55) KDM4EADORA3KDM4CKDM6BALDH1A1
SCHEMBL17465921 0.79 KDM4C (0.53) KDM4EKDM4CKDM6BALDH1A1GLA
SCHEMBL14084348 0.79 KDM4C (0.41) KDM4ECYP3A4CYP2C19KDM4CKDM6B
SCHEMBL13518160 0.78 KDM4E (0.55) KDM4ECYP1A2CYP3A4MPOADORA3
SCHEMBL2989594 0.77 KDM4E (0.50) KDM4ECYP1A2CYP3A4MPOADORA3
SCHEMBL799283 0.77 KDM4C (0.37) KDM4CKDM6BALDH1A1MAPTNPC1
SCHEMBL24480200 0.77 CTSD (0.55) ALDH1A1P2RX7GAATDP1MEN1
SCHEMBL15110200 0.74 AOC1 (0.50) KDM4ECYP1A2CYP3A4MPOADORA3

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
WO-2013030794-A2 USE OF SUBSTITUTED PYRIDINES AS SKIN DEPIGMENTING COMPOUNDS KASRAEE BEHROOZ (CH) 2013-03-07 WO claimed
US-9694014-B2 Treatment of muscular dystrophies and associated conditions by administration of monoamine oxidase inhibitors UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2017-07-04 US disclosed
US-20150290201-A1 TREATMENT OF MUSCULAR DYSTROPHIES AND ASSOCIATED CONDITIONS BY ADMINISTRATION OF MONOAMINE OXIDASE INHIBITORS UNIV PADOVA (IT) 2015-10-15 US disclosed
US-8487008-B2 Treatment of muscular dystrophies and associated conditions by administration of monoamine oxidase inhibitors UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2013-07-16 US disclosed
WO-2013030794-A2 USE OF SUBSTITUTED PYRIDINES AS SKIN DEPIGMENTING COMPOUNDS KASRAEE BEHROOZ (CH) 2013-03-07 WO disclosed
CN-102822165-A Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORP 2012-12-12 CN 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-20150290201-A1 TREATMENT OF MUSCULAR DYSTROPHIES AND ASSOCIATED CONDITIONS BY ADMINISTRATION OF MONOAMINE OXIDASE INHIBITORS MAOA, MAOB, MUSK KDM4E 1801/4885CYP1A2 328/4885CYP3A4 1127/4885

“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.