SCHEMBL6069742

SCHEMBL6069742

O=Cc1ccc2c(c1)NC(=O)C1CCCC21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
ALDH1A3 P47895 2/20 0.31
ALDH1A1 P00352 5/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PARP1 P09874 1/20 0.30
IP6K1 Q92551 1/20 0.30

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
SCHEMBL25233529 0.86 CYP2A6 (0.34) CYP2A6ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL6642433 0.79 NOS3 (0.44) TDP1PARP1
SCHEMBL6645276 0.79 NOS3 (0.44)
SCHEMBL6069563 0.76 DDB1 (0.39) PARP1IP6K1
SCHEMBL6069744 0.76 HSD17B10 (0.46) ALDH1A1HSD17B10TDP1KDM4ESMN1; SMN2
SCHEMBL6643305 0.76 NOS3 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL6137734 0.75 IDO1 (0.45) ALDH1A1KDM4EPARP1
SCHEMBL4761869 0.75 IDO1 (0.45) ALDH1A1KDM4EPARP1
SCHEMBL4763337 0.75 IDO1 (0.45) ALDH1A1KDM4EPARP1
SCHEMBL6643026 0.75 NOS3 (0.51) ALDH1A1TDP1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP 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-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 CYP2A6 380/4885ALDH1A3 275/4885ALDH1A1 260/4885

“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.