SCHEMBL16993676

SCHEMBL16993676

N=C(N)NN=Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.42
NPFFR1 Q9GZQ6 2/20 0.42
NPFFR2 Q9Y5X5 2/20 0.42
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL16993675 1.00 LMNA (0.44) LMNAALDH1A1RECQLNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL6510408 0.99 LMNA (0.43) LMNAALDH1A1RECQLNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL6510411 0.99 LMNA (0.43) LMNAALDH1A1RECQLNPFFR1NPFFR2
SCHEMBL17044426 0.90 LMNA (0.46) LMNAALDH1A1RECQLNPFFR1NPFFR2
SCHEMBL17044425 0.90 LMNA (0.46) LMNAALDH1A1RECQLNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL5703240 0.89 LMNA (0.44) LMNAALDH1A1RECQLNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL5703242 0.89 LMNA (0.44) LMNAALDH1A1RECQLNPFFR1NPFFR2
SCHEMBL17044396 0.84 NPFFR2 (0.60) LMNAALDH1A1RECQLNPFFR1NPFFR2
SCHEMBL17044397 0.84 NPFFR2 (0.60) LMNAALDH1A1RECQLNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL5703225 0.83 NPFFR2 (0.61) LMNAALDH1A1RECQLNPFFR1NPFFR2

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 3 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
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 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 (2 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-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 LMNA 1705/4885ALDH1A1 1813/4885RECQL 1680/4885
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.