SCHEMBL287827

SCHEMBL287827

O=C(CN1C=CCC(C(=O)NNc2ccccc2)=C1)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
GAA P10253 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP2D6 P10635 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
SCHEMBL287206 0.85 PTGS2 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL287496 0.84 KAT6A (0.44) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL286819 0.83 MAPT (0.43) ALDH1A1NPC1LMNAKDM4ESMN1; SMN2
SCHEMBL660292 0.83 ALDH1A1 (0.43) ALDH1A1NPC1LMNAKDM4ESMN1; SMN2
SCHEMBL659235 0.81 HTT (0.45) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL659963 0.80 KLK7 (0.48) ALDH1A1NPC1LMNASMN1; SMN2RAB9A
SCHEMBL286969 0.80 ALDH1A1 (0.42) ALDH1A1NPC1LMNAKDM4ESMN1; SMN2
SCHEMBL658736 0.78 NPSR1 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2HTT
SCHEMBL658725 0.78 POLB (0.46) ALDH1A1NPC1KDM4ESMN1; SMN2RAB9A
SCHEMBL287728 0.77 NPSR1 (0.46) ALDH1A1NPC1LMNAKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885NPC1 1176/4885LMNA 123/4885

“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.