SCHEMBL14025524

SCHEMBL14025524

O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N1CCc2cccnc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL14025526 0.91 NAMPT (0.47) NAMPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14025699 0.90 MEN1 (0.47) NAMPTKMT2AMEN1AKR1C3POLB
SCHEMBL14025487 0.86 KMT2A (0.69) NAMPTKMT2AMEN1AKR1C3ALDH1A1
SCHEMBL4787008 0.82 NAMPT (0.55) NAMPTKMT2AMEN1AKR1C3ALDH1A1
SCHEMBL14025488 0.82 NAMPT (0.57) NAMPTKMT2AMEN1AKR1C3ALDH1A1
SCHEMBL14025496 0.81 NAMPT (0.70) NAMPTKMT2AMEN1AKR1C3ALDH1A1
SCHEMBL14025703 0.81 NAMPT (0.56) NAMPTKMT2AAKR1C3ALDH1A1KDM4E
SCHEMBL14025529 0.81 TSHR (0.47) NAMPTKMT2AMEN1KDM4EMAPT
SCHEMBL14025519 0.80 TSHR (0.49) NAMPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14025504 0.79 CA1 (0.54) NAMPTKMT2AMEN1AKR1C3ALDH1A1

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 NAMPT 513/4885KMT2A 682/4885MEN1 173/4885

“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.