SCHEMBL14025530

SCHEMBL14025530

O=S(=O)(c1ccc(CN2CCSCC2)cc1)N1CCc2cccnc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LSS P48449 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TNF P01375 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NOD1 Q9Y239 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
AKR1C3 P42330 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL14025529 0.90 TSHR (0.47) NAMPTKMT2AMEN1LSSKDM4E
SCHEMBL14025519 0.89 TSHR (0.49) NAMPTKMT2AMEN1LSSKDM4E
SCHEMBL14025700 0.89 AKR1C3 (0.47) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025528 0.88 LSS (0.51) NAMPTKMT2AMEN1LSSSMN1; SMN2
SCHEMBL14025512 0.87 NAMPT (0.44) NAMPTKMT2AMEN1LSSKDM4E
SCHEMBL14025516 0.87 TSHR (0.53) NAMPTKMT2AMEN1LSSTNF
SCHEMBL14025472 0.85 KMT2A (0.60) NAMPTKMT2AMEN1KDM4ETNF
SCHEMBL14025502 0.80 TSHR (0.50) KMT2AMEN1KDM4ETNFSMN1; SMN2
SCHEMBL14025702 0.78 PRMT5 (0.46) NAMPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14025524 0.78 NAMPT (0.52) NAMPTKMT2AMEN1KDM4ESMN1; 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 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 513/4885KMT2A 682/4885MEN1 173/4885

“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.