SCHEMBL3740972

SCHEMBL3740972

COc1ccc2c(c1)C(=O)c1c-2c(N2CCNCC2)nc2ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.50
HTR6 P50406 2/20 0.42
NCF1 P14598 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ILK Q13418 1/20 0.41
USP2 O75604 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL3738458 0.87 TOP1 (0.64) TOP1HTR6CYP1A2CYP3A4TP53
SCHEMBL3746316 0.78 AMY1A (0.41) PDE10AHSD17B10
SCHEMBL3746375 0.76 TOP1 (0.51) TOP1HTR6CYP1A2CYP3A4TP53
SCHEMBL8810834 0.76 CYP1A2 (0.53) TOP1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL3736264 0.73 HTR3E (0.45) TOP1HTR6CYP2D6PDE10A
SCHEMBL3737923 0.72 TOP1 (0.71) TOP1HTR6CYP1A2CYP3A4TP53
SCHEMBL3737922 0.72 TOP1 (0.71) TOP1HTR6CYP1A2CYP3A4TP53
SCHEMBL16895268 0.71 TOP1 (0.54) TOP1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL3741028 0.70 HTR6 (0.53) TOP1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL16416202 0.70 HTR6 (0.63) TOP1HTR6NCF1CYP1A2CYP3A4

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-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-04-30 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-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same IMPA1, IMPDH1, IPO5 TOP1 265/4885HTR6 632/4885NCF1 2885/4885

“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.