SCHEMBL14025513

SCHEMBL14025513

O=S(=O)(c1ccc(CN(Cc2cnc[nH]2)Cc2ncc[nH]2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
CYP2C9 P11712 1/20 0.39
FNTA P49354 6/20 0.38
PGGT1B P53609 2/20 0.38
NAMPT P43490 1/20 0.38
FNTB P49356 4/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CXCR4 P61073 1/20 0.35

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
SCHEMBL14025525 0.90 HTR2B (0.47) HTR2BNAMPTHCRTR1HCRTR2CXCR4
SCHEMBL14025514 0.84 HTR2B (0.42) HTR2BNAMPTHCRTR1HCRTR2CXCR4
SCHEMBL14025489 0.84 KMT2A (0.51) HTR2BNAMPT
SCHEMBL14025459 0.81 ALDH1A1 (0.45) FNTAPGGT1BNAMPTFNTBHCRTR1
SCHEMBL14045814 0.81 FNTA (0.39) FNTAPGGT1BFNTBCXCR4
SCHEMBL14025695 0.79 AKR1C3 (0.43) HTR2BHCRTR1HCRTR2
SCHEMBL14025484 0.78 MEN1 (0.45) HTR2BNAMPTCXCR4
SCHEMBL14025521 0.76 HTR2B (0.42) HTR2BNAMPTHCRTR1HCRTR2CXCR4
SCHEMBL14025689 0.75 AKR1C3 (0.37) HTR2BHCRTR1HCRTR2CXCR4
SCHEMBL14025696 0.74 KMT2A (0.38) HTR2BCYP2C9CXCR4

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 HTR2B 4516/4885CYP2C9 2131/4885FNTA 2319/4885

“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.