SCHEMBL14025512

SCHEMBL14025512

O=S(=O)(c1ccc(CN2CCNCC2)cc1)N1CCc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
CXCR4 P61073 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TYMS P04818 1/20 0.42
LSS P48449 1/20 0.42
HTR6 P50406 3/20 0.41
SIGMAR1 Q99720 1/20 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
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 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) NAMPTCXCR4KMT2AMEN1LSS
SCHEMBL14025519 0.89 TSHR (0.49) NAMPTCXCR4KMT2AMEN1LSS
SCHEMBL14025704 0.89 HTR6 (0.42) NAMPTKMT2AMEN1HTR6KDM4E
SCHEMBL14025528 0.88 LSS (0.51) NAMPTKMT2AMEN1LSSHTR6
SCHEMBL14025530 0.87 NAMPT (0.46) NAMPTKMT2AMEN1LSSTNF
SCHEMBL14025516 0.87 TSHR (0.53) NAMPTKMT2AMEN1LSSTNF
SCHEMBL4786278 0.85 KMT2A (0.60) KMT2AMEN1SIGMAR1TNFSMN1; SMN2
Hydrochloric Acid SCHEMBL4786214 0.84 KMT2A (0.59) KMT2AMEN1SIGMAR1TNFSMN1; SMN2
SCHEMBL4741281 0.80 SIGMAR1 (0.54) CXCR4KMT2AMEN1HTR6SIGMAR1
SCHEMBL14025702 0.78 PRMT5 (0.46) NAMPTKMT2AMEN1SMN1; SMN2KDM4E

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 NAMPT 513/4885CXCR4 242/4885KMT2A 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.