SCHEMBL14025699

SCHEMBL14025699

O=S(=O)(c1cccc(CNCc2ccccc2)c1)N1CCc2cccnc2C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AKR1C3 P42330 8/20 0.47
AKR1C1 Q04828 2/20 0.47
NAMPT P43490 3/20 0.45
POLB P06746 1/20 0.43
AKR1C2 P52895 1/20 0.43
ESR2 Q92731 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL14025703 0.91 NAMPT (0.56) KMT2AAKR1C3NAMPT
SCHEMBL14025524 0.90 NAMPT (0.52) MEN1KMT2AAKR1C3NAMPTPOLB
SCHEMBL14025659 0.87 MEN1 (0.64) MEN1KMT2AAKR1C3AKR1C1POLB
SCHEMBL14025661 0.84 AKR1C3 (0.62) MEN1KMT2AAKR1C3AKR1C1NAMPT
SCHEMBL14025654 0.83 MEN1 (0.51) MEN1KMT2AAKR1C3AKR1C1NAMPT
SCHEMBL14025680 0.82 AKR1C3 (0.46) MEN1KMT2AAKR1C3AKR1C1NAMPT
SCHEMBL14025526 0.82 NAMPT (0.47) MEN1KMT2ANAMPTPOLB
SCHEMBL14025660 0.82 AKR1C3 (0.53) MEN1KMT2AAKR1C3AKR1C1NAMPT
SCHEMBL14025702 0.82 PRMT5 (0.46) MEN1KMT2AAKR1C3AKR1C1NAMPT
SCHEMBL14025705 0.81 PRMT5 (0.45) MEN1KMT2AAKR1C3AKR1C1NAMPT

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 MEN1 173/4885KMT2A 682/4885AKR1C3 518/4885

“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.