SCHEMBL14025474

SCHEMBL14025474

O=S(=O)(c1ccc(CN2CCCC2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
SMN1; SMN2 Q16637 5/20 0.59
GAA P10253 1/20 0.59
TNF P01375 2/20 0.59
NOD1 Q9Y239 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
AKR1C3 P42330 2/20 0.59
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 2/20 0.55
PRMT5 O14744 2/20 0.55

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
SCHEMBL14025473 0.99 KMT2A (0.63) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025495 0.92 TSHR (0.60) KMT2AMEN1SMN1; SMN2TNFNOD1
SCHEMBL14025498 0.91 TSHR (0.63) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025493 0.90 KMT2A (0.62) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL4786278 0.89 KMT2A (0.60) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025472 0.89 KMT2A (0.60) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025477 0.89 TSHR (0.62) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025490 0.88 KMT2A (0.59) KMT2AMEN1SMN1; SMN2LMNAAKR1C3
Hydrochloric Acid SCHEMBL4786214 0.88 KMT2A (0.59) KMT2AMEN1SMN1; SMN2GAATNF
SCHEMBL14025480 0.87 KMT2A (0.61) KMT2AMEN1SMN1; SMN2TNFNOD1

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 KMT2A 682/4885MEN1 173/4885SMN1; SMN2 3131/4885

“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.