SCHEMBL17044401

SCHEMBL17044401

N=C(N)N/N=C/c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.46
MAOB P27338 1/20 0.42
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
OPRK1 P41145 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.36
MYC P01106 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL17044403 1.00 LMNA (0.49) LMNAALDH1A1RECQLMAOBKMT2A
Hydrochloric Acid SCHEMBL6511744 0.99 LMNA (0.48) LMNAALDH1A1RECQLMAOBKMT2A
Hydrochloric Acid SCHEMBL6511737 0.99 LMNA (0.48) LMNAALDH1A1RECQLMAOBKMT2A
SCHEMBL17044504 0.91 LMNA (0.50) LMNAALDH1A1RECQLKMT2AKDM4E
Hydrochloric Acid SCHEMBL5703033 0.89 RECQL (0.49) LMNAALDH1A1RECQLKMT2AKDM4E
SCHEMBL7747081 0.86 MAOB (0.50) LMNAALDH1A1MAOBKMT2AKDM4E
SCHEMBL7747082 0.86 MAOB (0.50) LMNAALDH1A1MAOBKMT2AKDM4E
Hydrochloric Acid SCHEMBL5702977 0.84 MAOB (0.49) LMNAALDH1A1MAOBKMT2AKDM4E
Hydrochloric Acid SCHEMBL5702982 0.84 MAOB (0.49) LMNAALDH1A1MAOBKMT2AKDM4E
SCHEMBL17044421 0.79 RECQL (0.71) LMNAALDH1A1RECQLMAOBKMT2A

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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 LMNA 866/4885ALDH1A1 4570/4885RECQL 3470/4885

“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.