SCHEMBL4392496

SCHEMBL4392496

NC(=O)C1c2cc[c]cc2C[C@@H]1NCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
SMO Q99835 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4392500 1.00 KDM1A (0.41) KDM1AMAOAMAOBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7906091 0.99 KDM1A (0.40) KDM1AMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL7972730 0.82 HTT (0.37) ALDH1A1P2RX7KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7907453 0.79 KLK1 (0.35)
SCHEMBL4058384 0.75 KDM4E (0.32) KDM4E
SCHEMBL4058383 0.75 KDM4E (0.32) KDM4E
SCHEMBL4245803 0.73
SCHEMBL4245801 0.73
SCHEMBL7761724 0.72 PSEN1 (0.35) SMN1; SMN2
SCHEMBL7907540 0.71 KDM4E (0.39) KDM1AMAOAMAOBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 KDM1A 796/4885MAOA 4752/4885MAOB 4619/4885

“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.