SCHEMBL9056597

SCHEMBL9056597

COC(=O)Nc1cc2c3c(c1)[C@H](c1ccc(I)cc1)CCN3CC[C@H]2c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL8989544 0.94 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4
SCHEMBL8990003 0.90 DRD2 (0.40) SMN1; SMN2NPC1RAB9AGPBAR1
SCHEMBL13525373 0.90 SLC6A4 (0.36) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4
SCHEMBL8989307 0.84 HPGD (0.38) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4
SCHEMBL8988738 0.83 LMNA (0.42) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4
SCHEMBL2391310 0.83 HTT (0.40) SMN1; SMN2NPC1RAB9ASLC6A2SLC6A4
SCHEMBL8989511 0.83 MAPT (0.42) RAB9AMGLL
SCHEMBL8989514 0.83 MAPT (0.42) RAB9AMGLL
SCHEMBL8989848 0.80 RAB9A (0.43) SMN1; SMN2NPC1RAB9A
SCHEMBL14233833 0.78 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3

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-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 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-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 SMN1; SMN2 2355/4885NPC1 609/4885RAB9A 977/4885

“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.