SCHEMBL3736280

SCHEMBL3736280

COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(CC3CO3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.48
NTRK1 P04629 2/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NOD2 Q9HC29 1/20 0.42
RXRA P19793 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL8810834 0.84 CYP1A2 (0.53) TOP1NTRK1MAPK1TSHR
SCHEMBL3738458 0.81 TOP1 (0.64) TOP1NTRK1TUBB4ATUBBTUBA3C
SCHEMBL3736256 0.79 RECQL (0.47) TOP1HTR2ADRD2MAPK1GAA
SCHEMBL3746336 0.78 TOP1 (0.46) TOP1NTRK1LMNAMAPK1GAA
SCHEMBL16895266 0.75 ABCG2 (0.53) TOP1MAPK1RAB9ATSHR
SCHEMBL3748969 0.75 TOP1 (0.51) TOP1LMNAMAPK1GAAHSD17B10
SCHEMBL16895275 0.73 KMT2A (0.50) LMNA
SCHEMBL16895271 0.71 ALDH1A1 (0.56) HTR2CLMNAGAATSHR
SCHEMBL16895272 0.71 NPC1 (0.51) LMNANOD2
SCHEMBL3746375 0.71 TOP1 (0.51) TOP1HTR2ATSHR

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 265/4885NTRK1 4732/4885HTR2A 1250/4885

“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.