SCHEMBL14025534

SCHEMBL14025534

O=S(=O)(c1ccc(CNC2CCCc3cccnc32)cc1)N1CCc2cccnc2C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NAMPT P43490 5/20 0.43
CXCR4 P61073 6/20 0.40
ALDH1A1 P00352 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14025483 0.93 HDAC1 (0.56) HDAC1HDAC6NAMPTCXCR4ALDH1A1
SCHEMBL14025707 0.90 HDAC1 (0.48) HDAC1HDAC6NAMPTCXCR4ALDH1A1
SCHEMBL14025497 0.88 HDAC1 (0.59) HDAC1HDAC6NAMPTCXCR4ALDH1A1
SCHEMBL14025656 0.83 HDAC1 (0.48) HDAC1HDAC6NAMPTCXCR4MEN1
SCHEMBL13909820 0.80 HDAC1 (0.76) HDAC1HDAC6CXCR4ALDH1A1KDM4E
SCHEMBL14025524 0.79 NAMPT (0.52) NAMPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14025681 0.78 HDAC1 (0.52) HDAC1HDAC6CXCR4ALDH1A1SCN1A
SCHEMBL14025462 0.77 HDAC1 (0.60) HDAC1HDAC6CXCR4ALDH1A1SCN1A
SCHEMBL14025706 0.77 HDAC1 (0.50) HDAC1HDAC6CXCR4ALDH1A1SCN1A
SCHEMBL4562865 0.76 HDAC1 (0.69) HDAC1HDAC6CXCR4ALDH1A1KDM4E

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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A HDAC1 703/4885HDAC6 1192/4885NAMPT 513/4885

“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.