SCHEMBL14025514

SCHEMBL14025514

O=S(=O)(c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.42
KCNA5 P22460 1/20 0.42
CXCR4 P61073 3/20 0.40
CXCR3 P49682 3/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
LIN28A Q9H9Z2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STS P08842 2/20 0.37
NAMPT P43490 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL14025484 0.94 MEN1 (0.45) HTR2BCXCR4KMT2ASMN1; SMN2STS
SCHEMBL14025525 0.93 HTR2B (0.47) HTR2BCXCR4KMT2ASMN1; SMN2NAMPT
SCHEMBL14025517 0.90 KCNA5 (0.50) KCNA5CXCR4CXCR3KMT2ASMN1; SMN2
SCHEMBL14025696 0.90 KMT2A (0.38) HTR2BCXCR4KMT2ASMN1; SMN2MAPT
SCHEMBL14025520 0.88 HTR2B (0.40) HTR2BKCNA5CXCR4CXCR3KMT2A
SCHEMBL14025489 0.86 KMT2A (0.51) HTR2BKMT2ASMN1; SMN2MAPTNAMPT
SCHEMBL14025671 0.84 AKR1C3 (0.43) KMT2ASMN1; SMN2MAPTSTSALDH1A1
SCHEMBL14025513 0.84 HTR2B (0.41) HTR2BCXCR4NAMPTHCRTR1HCRTR2
SCHEMBL14025476 0.83 KMT2A (0.54) KCNA5KMT2ASMN1; SMN2MAPTSTS
SCHEMBL14025695 0.82 AKR1C3 (0.43) HTR2BKMT2ASMN1; SMN2CYP2D6TSHR

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 4516/4885KCNA5 4120/4885CXCR4 242/4885

“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.