SCHEMBL14025517

SCHEMBL14025517

O=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.50
KMT2A Q03164 4/20 0.46
CXCR3 P49682 2/20 0.46
CXCR4 P61073 1/20 0.44
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
LIN28A Q9H9Z2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
STS P08842 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 2/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL14025476 0.92 KMT2A (0.54) KCNA5KMT2ANAMPTSMN1; SMN2MAPT
SCHEMBL14025514 0.90 HTR2B (0.42) KCNA5KMT2ACXCR3CXCR4NAMPT
SCHEMBL14025690 0.87 KMT2A (0.46) KCNA5KMT2ACXCR3CXCR4SMN1; SMN2
SCHEMBL14025484 0.83 MEN1 (0.45) KMT2ACXCR4NAMPTSMN1; SMN2STS
SCHEMBL4743994 0.81 NAMPT (0.51) KMT2ACXCR4NAMPTSMN1; SMN2TDP1
SCHEMBL14025662 0.80 MEN1 (0.51) KMT2ASMN1; SMN2MAPTSTSPOLB
SCHEMBL14025525 0.80 HTR2B (0.47) KMT2ACXCR4NAMPTSMN1; SMN2LMNA
SCHEMBL14025696 0.79 KMT2A (0.38) KMT2ACXCR4SMN1; SMN2MAPTLIN28A
SCHEMBL14025520 0.78 HTR2B (0.40) KCNA5KMT2ACXCR3CXCR4NAMPT
SCHEMBL3410737 0.78 KCNA5 (0.54) KCNA5KMT2ACXCR3CXCR4SMN1; SMN2

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 KCNA5 4120/4885KMT2A 682/4885CXCR3 248/4885

“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.