SCHEMBL1368686

SCHEMBL1368686

COC(=O)c1ccc(CNCc2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.78
RAB9A P51151 1/20 0.78
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
LOXL2 Q9Y4K0 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.55
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
DRD2 P14416 1/20 0.53
TBXA2R P21731 1/20 0.53
CYP4A11 Q02928 2/20 0.51
GAA P10253 2/20 0.51
CYP4F2 P78329 1/20 0.50

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
SCHEMBL9016956 0.91 LMNA (0.68) NPC1RAB9AALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL15393160 0.89 LMNA (0.66) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL7411710 0.86 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL11240016 0.85 CA1 (0.75) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL2839345 0.85 MEN1 (0.68) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL29245006 0.85 CA1 (0.75) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL196916 0.85 CA1 (0.64) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL380994 0.84 CA1 (0.73) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL3746846 0.84 SMN1; SMN2 (0.73) NPC1RAB9ALMNAHPGDLOXL2
SCHEMBL3310683 0.84 LMNA (0.64) NPC1RAB9AALDH1A1LMNAHPGD

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-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed
US-20110288293-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-24 US disclosed
EP-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 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-20110288293-A1 ISOQUINOLINE DERIVATIVE HRH1, HRH2, HRH4 NPC1 161/4885RAB9A 1548/4885ALDH1A1 807/4885

“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.