SCHEMBL14005159

SCHEMBL14005159

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
EGFR P00533 2/20 0.52
PIK3CA P42336 2/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK14 Q16539 1/20 0.49
HPGD P15428 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 1/20 0.48
MIF P14174 1/20 0.48
NAMPT P43490 2/20 0.48

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
SCHEMBL6885554 0.86 IDO1 (0.66) IDO1NPC1RAB9AHDAC3HDAC1
SCHEMBL4893253 0.80 NPC1 (0.71) LMNANPC1RAB9APOLBKMT2A
SCHEMBL14005167 0.78 EGFR (0.55) LMNANPC1RAB9AEGFRPIK3CA
SCHEMBL14005162 0.76 MIF (0.47) IDO1LMNANPC1RAB9APOLB
SCHEMBL4267415 0.75 HDAC1 (0.57) IDO1NPC1RAB9AHDAC3HDAC1
SCHEMBL1647463 0.75 NAMPT (0.62) HDAC3HDAC1HDAC2NCOR2NAMPT
SCHEMBL22672938 0.74 NPC1 (0.57) LMNANPC1RAB9AEGFRPIK3CA
SCHEMBL21768049 0.73 LMNA (0.76) LMNANPC1RAB9APOLBKMT2A
SCHEMBL14025813 0.73 SLC40A1 (0.66) LMNANPC1RAB9APOLBKMT2A
SCHEMBL166484 0.72 LMNA (0.82) LMNANPC1RAB9APOLBKMT2A

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 IDO1 2030/4885LMNA 4687/4885NPC1 363/4885

“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.