SCHEMBL11878136

SCHEMBL11878136

N=C(N)NN=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.52
XBP1 P17861 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
ESRRG P62508 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL17574146 1.00 LMNA (0.71) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
Hydrochloric Acid SCHEMBL17560930 0.98 LMNA (0.69) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
Hydrochloric Acid SCHEMBL6510856 0.98 LMNA (0.69) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
SCHEMBL20878217 0.89 LMNA (0.56) LMNAALDH1A1SMN1; SMN2XBP1KDM4E
SCHEMBL10662351 0.86 LMNA (0.66) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10662338 0.86 LMNA (0.66) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10054978 0.86 KDM4E (0.63) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL11768006 0.85 LMNA (0.64) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
Hydrochloric Acid SCHEMBL11769085 0.85 LMNA (0.64) LMNAALDH1A1SMN1; SMN2XBP1CTDSP1
SCHEMBL10665098 0.84 LMNA (0.63) LMNAALDH1A1SMN1; SMN2XBP1KDM4E

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 2 patents. 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
US-3982020-A Substituted benzylidene hydrazines for treating hyperglycemia, obesity and inflammation SANDOZ, INC. (US) 1976-09-21 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 4570/4885SMN1; SMN2 1337/4885

“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.