SCHEMBL3738458

SCHEMBL3738458

COc1ccc2c(c1)C(=O)c1c-2c(N2CCNCC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.64
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HTR6 P50406 2/20 0.52
NTRK1 P04629 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45

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
SCHEMBL3746375 0.89 TOP1 (0.51) TOP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8810834 0.88 CYP1A2 (0.53) TOP1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3740972 0.87 TOP1 (0.50) TOP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3737923 0.85 TOP1 (0.71) TOP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3737922 0.85 TOP1 (0.71) TOP1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3741028 0.84 HTR6 (0.53) TOP1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL16895268 0.84 TOP1 (0.54) TOP1CYP1A2CYP3A4CYP2D6HTR6
SCHEMBL3736280 0.81 TOP1 (0.48) TOP1TSHRNTRK1TUBB4ATUBB
SCHEMBL3746336 0.80 TOP1 (0.46) TOP1TSHRNTRK1
SCHEMBL16895266 0.79 ABCG2 (0.53) TOP1TP53CYP1A2CYP3A4CYP2D6

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 265/4885TP53 5/4885CYP1A2 103/4885

“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.