SCHEMBL14005168

SCHEMBL14005168

COCCNCc1ccc(NNC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HPGD P15428 1/20 0.46
EGFR P00533 3/20 0.46
PIK3CA P42336 3/20 0.46
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL14005167 0.84 EGFR (0.55) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL22672938 0.75 NPC1 (0.57) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL13753661 0.71 KDM4E (0.72) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL30301414 0.71 KDM4E (0.60) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL27015827 0.71 KDM4E (0.60) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL12584537 0.71 NAMPT (0.72) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL6657027 0.70 HDAC2 (0.67) HDAC3HDAC1HDAC2NCOR2KDM4E
SCHEMBL3246963 0.70 KDM4E (0.68) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL14005159 0.69 IDO1 (0.53) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2735969 0.69 CA12 (0.72) NPC1RAB9AHDAC3HDAC1HDAC2

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 NPC1 363/4885RAB9A 1363/4885HDAC3 1391/4885

“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.