SCHEMBL4922749

SCHEMBL4922749

O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1nc2ccccc2[nH]1)Cc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.47
CXCR4 P61073 3/20 0.46
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4786868 0.86 CXCR4 (0.54) CXCR3CXCR4KCNA5ALDH1A1POLB
SCHEMBL4926200 0.85 KCNA5 (0.45) CXCR3CXCR4KCNA5ALDH1A1HPGD
SCHEMBL4916980 0.84 KMT2A (0.53) CXCR3CXCR4KCNA5ALDH1A1POLB
SCHEMBL4913474 0.77 ALDH1A1 (0.55) CXCR3ALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL4922150 0.76 CXCR4 (0.49) CXCR4SMN1; SMN2HSD17B10GAA
SCHEMBL4922140 0.76 CXCR4 (0.49) CXCR4SMN1; SMN2HSD17B10GAA
SCHEMBL4921023 0.75 CXCR4 (0.50) CXCR4POLBSMN1; SMN2HSD17B10GAA
SCHEMBL13909540 0.74 CXCR4 (0.58) CXCR4ALDH1A1LMNAGAAKMT2A
SCHEMBL14025562 0.73 CXCR4 (0.47) CXCR4ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL4924546 0.72 CXCR3 (0.64) CXCR3KCNA5ALDH1A1SMN1; SMN2LMNA

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-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
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 CXCR3 248/4885CXCR4 242/4885KCNA5 4120/4885

“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.