SCHEMBL17044484

SCHEMBL17044484

N=C(N)NN=Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CES2 O00748 2/20 0.37
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL17044483 1.00 LMNA (0.44) LMNAALDH1A1RECQLNPC1RAB9A
Hydrochloric Acid SCHEMBL5703302 0.99 LMNA (0.43) LMNAALDH1A1RECQLNPC1RAB9A
Hydrochloric Acid SCHEMBL5703297 0.99 LMNA (0.43) LMNAALDH1A1RECQLNPC1RAB9A
SCHEMBL17044415 0.86 LMNA (0.44) LMNAALDH1A1RECQLRAB9AMAPT
SCHEMBL17044413 0.86 LMNA (0.44) LMNAALDH1A1RECQLRAB9AMAPT
Hydrochloric Acid SCHEMBL6514813 0.84 LMNA (0.43) LMNAALDH1A1RECQLRAB9AMAPT
Hydrochloric Acid SCHEMBL6514816 0.84 LMNA (0.43) LMNAALDH1A1RECQLRAB9AMAPT
SCHEMBL17044525 0.83 LMNA (0.44) LMNAALDH1A1RECQLNPC1RAB9A
SCHEMBL17044523 0.83 LMNA (0.44) LMNAALDH1A1RECQLNPC1RAB9A
Hydrochloric Acid SCHEMBL5703360 0.82 LMNA (0.43) LMNAALDH1A1RECQLNPC1RAB9A

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.