SCHEMBL425440

SCHEMBL425440

CN(C(=O)n1nnc2ccccc21)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.60
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
GLA P06280 1/20 0.52
THRB P10828 1/20 0.52
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
GAA P10253 10/20 0.48
MGAM O43451 9/20 0.48
AMY1A P0DUB6 9/20 0.48
SI P14410 9/20 0.48
MGAM2 Q2M2H8 9/20 0.48
F2 P00734 2/20 0.48
HPGD P15428 2/20 0.48
SLC9A1 P19634 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL427308 0.90 KMT2A (0.70) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL425552 0.89 KMT2A (0.59) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL7899312 0.88 KMT2A (0.59) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL427449 0.84 GLA (0.47) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL427465 0.84 KCNMA1 (0.55) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL425007 0.79 KMT2A (0.61) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL427526 0.79 MGLL (0.51) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL425444 0.78 F12 (0.65) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL424354 0.76 KMT2A (0.51) F12KMT2AMAPTNPSR1KDM4E
SCHEMBL29479884 0.76 F12 (1.00) F12KMT2AMAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 F12 785/4885KMT2A 2067/4885MAPT 1705/4885

“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.