SCHEMBL14025488

SCHEMBL14025488

O=S(=O)(c1ccc(CNCc2cccnc2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
AKR1C3 P42330 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL14025506 0.92 NAMPT (0.57) NAMPTLMNAALDH1A1
SCHEMBL14025660 0.89 AKR1C3 (0.53) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL14025496 0.89 NAMPT (0.70) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL14025487 0.89 KMT2A (0.69) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL4787008 0.83 NAMPT (0.55) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL14025524 0.82 NAMPT (0.52) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL14025685 0.81 NAMPT (0.52) NAMPTAKR1C3LMNAALDH1A1TSHR
SCHEMBL14025661 0.80 AKR1C3 (0.62) NAMPTMEN1KMT2AAKR1C3SMN1; SMN2
SCHEMBL14025485 0.80 NAMPT (0.52) NAMPTMEN1KMT2AAKR1C3LMNA
SCHEMBL14025505 0.80 NAMPT (0.67) NAMPTMEN1KMT2AAKR1C3LMNA

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 513/4885MEN1 173/4885KMT2A 682/4885

“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.