SCHEMBL14005192

SCHEMBL14005192

O=C(NCc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPK10 P53779 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA5 P08648 1/20 0.49
ITGB5 P18084 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KDM4E B2RXH2 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
SCHEMBL3612939 0.81 HDAC6 (0.57) HSD17B10ALDH1A1HDAC1HDAC6KDM4E
SCHEMBL14005185 0.81 TSHR (0.57) MAPTTSHRRECQLHSD17B10SMN1; SMN2
SCHEMBL14025800 0.81 MAPT (0.66) MAPTTSHRRECQLSMN1; SMN2THRB
SCHEMBL3604538 0.80 HSD17B10 (0.56) TSHRRECQLHSD17B10SMN1; SMN2THRB
SCHEMBL7080320 0.78 MAPT (0.73) MAPTTSHRRECQLHSD17B10SMN1; SMN2
SCHEMBL18782204 0.78 SLC40A1 (0.59) MAPTTSHRRECQLTHRBL3MBTL1
SCHEMBL14025441 0.77 SMN1; SMN2 (0.64) MAPTTSHRRECQLSMN1; SMN2L3MBTL1
SCHEMBL1793590 0.77 ALDH1A1 (0.66) MAPTTSHRRECQLHSD17B10SMN1; SMN2
SCHEMBL14025799 0.77 ITGB3 (0.53) HSD17B10SMN1; SMN2ITGB3ITGAVALDH1A1
SCHEMBL14025811 0.75 HSD17B10 (0.46) TSHRRECQLHSD17B10SMN1; SMN2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809846-B2 Organic molecular memories and organic molecules for organic molecular memories KABUSHIKI KAISHA TOSHIBA (JP) 2014-08-19 US disclosed
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 MAPT 4253/4885TSHR 2114/4885RECQL 3705/4885

“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.