SCHEMBL14005185

SCHEMBL14005185

O=C(NCc1ccccc1)c1ccc(C(=O)N(Cc2nc3ccccc3[nH]2)N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL14005177 0.91 KDM4E (0.48) TSHRKDM4EALDH1A1HPGDKMT2A
SCHEMBL14005192 0.81 MAPT (0.54) TSHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4889055 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL14025800 0.73 MAPT (0.66) TSHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4898157 0.72 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14005199 0.72 ALDH1A1 (0.50) ALDH1A1MAPTHPGDPOLBMAPK1
SCHEMBL7080320 0.71 MAPT (0.73) TSHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18782204 0.71 SLC40A1 (0.59) TSHRMAPTPOLBMAPK10KMT2A
SCHEMBL14025441 0.70 SMN1; SMN2 (0.64) TSHRKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14025799 0.70 ITGB3 (0.53) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10

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-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
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 TSHR 2114/4885KDM4E 4332/4885ALDH1A1 1359/4885

“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.