SCHEMBL18353624

SCHEMBL18353624

Cc1ccccc1CNc1nc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
SRC P12931 1/20 0.47
ELANE P08246 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP4K4 O95819 1/20 0.42
P2RX7 Q99572 1/20 0.42
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL7154433 0.80 CA12 (0.53) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL16995685 0.80 HDAC3 (0.51) LMNAALDH1A1HTTMAPK1CHRM2
SCHEMBL18353487 0.78 HDAC1 (0.55) HPGDALDH1A1MAPK1P2RX7PPARG
SCHEMBL28357732 0.77 VNN1 (0.49) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL18353997 0.75 ABL1 (0.51) ABL1SRCMAPK1P2RX7
SCHEMBL2633350 0.71 MAOA (0.56) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL13115741 0.71 MAP4K4 (0.49) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL17741890 0.71 MAOA (0.61) ELANEMAPK1MAP4K4GAA
SCHEMBL11873428 0.70 KDM4E (0.41) LMNAKMT2AALDH1A1KDM4EGAA
SCHEMBL20511207 0.69 DCTPP1 (0.52) ELANELMNAMAPK1MAP4K4P2RX7

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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-01-05 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-20170001968-A1 AMINOTRIAZOLE- AND AMINOTETRAZOLE-BASED KDM1A INHIBITORS AS EPIGENETIC MODULATORS KDM1A, KDM1B, KDM3A ABL1 1012/4885SRC 1905/4885ELANE 4578/4885

“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.