SCHEMBL2808040

SCHEMBL2808040

[C]1NC(c2ccc3ccccc3n2)Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 5/20 0.36
CYP1A2 P05177 5/20 0.36
ALOX15 P16050 2/20 0.36
CYP2D6 P10635 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
PMP22 Q01453 2/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 2/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL5416491 0.78 HTR3A (0.34) HTR3AHRH4
SCHEMBL7037068 0.70 ALDH1A1 (0.47) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL9008328 0.67 NPC1 (0.41) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL6729741 0.67 NPC1 (0.39) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL16429508 0.65 TAAR1 (0.49) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL1828173 0.64 TSHR (0.42) TSHRHTR2C
SCHEMBL3370161 0.64 CYP2D6 (0.32) MEN1KMT2AMAPTCYP2D6
SCHEMBL8918069 0.64 CYP2D6 (0.52) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL9733257 0.64 CYP3A4 (0.41) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL902873 0.63 NPC1 (0.52) ALDH1A1CYP3A4NPC1RAB9ATP53

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-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 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-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ALDH1A1 564/4885CYP3A4 431/4885NPC1 1517/4885

“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.