SCHEMBL14025504

SCHEMBL14025504

O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
NAMPT P43490 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 7/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 2/20 0.52
AKR1C3 P42330 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
AKR1C1 Q04828 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL14025487 0.90 KMT2A (0.69) NAMPTMEN1KMT2AALDH1A1POLB
SCHEMBL14025505 0.89 NAMPT (0.67) NAMPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL14025697 0.87 AKR1C3 (0.57) CA1CA2NAMPTMEN1KMT2A
SCHEMBL14025506 0.87 NAMPT (0.57) NAMPTALDH1A1MAPT
SCHEMBL4743994 0.84 NAMPT (0.51) CA2NAMPTMEN1KMT2AALDH1A1
SCHEMBL14025496 0.81 NAMPT (0.70) NAMPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2694482 0.80 MEN1 (0.76) MEN1KMT2AALDH1A1POLBAKR1C3
SCHEMBL14025488 0.80 NAMPT (0.57) NAMPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL14025243 0.80 KMT2A (0.53) CA1CA2NAMPTMEN1KMT2A
SCHEMBL14025659 0.79 MEN1 (0.64) MEN1KMT2APOLBAKR1C3SMN1; 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 CA1 4809/4885CA2 4241/4885NAMPT 513/4885

“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.