SCHEMBL14005162

SCHEMBL14005162

O=C(NCc1ccccn1)c1ccc(N2CCCCN2C(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.47
IDO1 P14902 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK14 Q16539 1/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
MELK Q14680 1/20 0.42
CA2 P00918 1/20 0.42
NAMPT P43490 3/20 0.42
MAPT P10636 1/20 0.42
DRD3 P35462 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL14005251 0.83 IDO1 (0.45) MIFIDO1RAB9AMAPK1KDM4E
SCHEMBL6885554 0.77 IDO1 (0.66) MIFIDO1NPC1RAB9AALDH1A1
SCHEMBL14005159 0.76 IDO1 (0.53) MIFIDO1POLBNPC1RAB9A
SCHEMBL14070685 0.73 NAMPT (0.46) POLBNPC1RAB9AALDH1A1MAPK1
SCHEMBL1647463 0.67 NAMPT (0.62) NAMPTCYP2C9
SCHEMBL14025813 0.67 SLC40A1 (0.66) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL2231822 0.67 RAB9A (0.60) POLBNPC1RAB9AALDH1A1LMNA
SCHEMBL4267415 0.67 HDAC1 (0.57) IDO1NPC1RAB9AKDM4EHSD17B10
SCHEMBL14070681 0.67 THRB (0.48) RAB9AALDH1A1LMNAMEN1KMT2A
SCHEMBL166484 0.66 LMNA (0.82) POLBNPC1RAB9AALDH1A1LMNA

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 MIF 26/4885IDO1 2030/4885POLB 2589/4885

“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.