SCHEMBL4916980

SCHEMBL4916980

O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccn1)Cc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CXCR3 P49682 9/20 0.52
KCNA5 P22460 1/20 0.51
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
CXCR4 P61073 3/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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 0.94 CXCR4 (0.54) KMT2ACXCR3KCNA5TSHRMEN1
SCHEMBL4913474 0.89 ALDH1A1 (0.55) KMT2ACXCR3TSHRMEN1ALDH1A1
SCHEMBL4922749 0.84 CXCR3 (0.47) KMT2ACXCR3KCNA5CXCR4ALDH1A1
SCHEMBL4926200 0.82 KCNA5 (0.45) KMT2ACXCR3KCNA5TSHRMEN1
SCHEMBL4922150 0.81 CXCR4 (0.49) CXCR4SMN1; SMN2
SCHEMBL4922140 0.81 CXCR4 (0.49) CXCR4SMN1; SMN2
SCHEMBL4924546 0.79 CXCR3 (0.64) KMT2ACXCR3KCNA5TSHRMEN1
SCHEMBL4921023 0.79 CXCR4 (0.50) KMT2AMEN1CXCR4SMN1; SMN2NPSR1
SCHEMBL4926248 0.78 SMN1; SMN2 (0.43) KMT2AMEN1CXCR4ALDH1A1LMNA
SCHEMBL14025440 0.77 ALDH1A1 (0.56) KMT2ATSHRMEN1CXCR4ALDH1A1

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-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 KMT2A 682/4885CXCR3 248/4885KCNA5 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.