SCHEMBL15060418

SCHEMBL15060418

c1ccc(-c2cc3c(ccc4cc(-c5ccccc5)[nH]c43)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.56
▸ RAB9A P51151 5/20 0.56
▸ KDM4E B2RXH2 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP19A1 P11511 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 6/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CTSV O60911 1/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 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
SCHEMBL12324064 0.82 NPC1 (0.59) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL4891254 0.81 RAB9A (0.55) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL31020778 0.81 RAB9A (0.55) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL28297988 0.77 NPC1 (0.55) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL31201123 0.77 NPC1 (0.55) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL12124985 0.76 NPC1 (0.75) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL10936137 0.75 NPC1 (0.47) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL3603159 0.73 CDK4 (0.48) NPC1RAB9ACYP19A1DHODHCDK4
2-Phenyl-1H-Indole SCHEMBL18059783 0.73 NPC1 (0.81) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL7055030 0.73 KDM4E (0.64) NPC1RAB9AKDM4ELMNAALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 — — US disclosed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 — — US disclosed
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 — — US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 — — US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 — — US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 — — US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 — — WO disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 — — WO 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 NPC1 3955/4885RAB9A 1761/4885KDM4E 2552/4885

“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.

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