SCHEMBL14025516

SCHEMBL14025516

O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCc2cccnc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
S1PR2 O95136 1/20 0.49
TNF P01375 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.45
NAMPT P43490 1/20 0.44
HPGD P15428 1/20 0.42

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) TSHRMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL14025519 0.89 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL14025708 0.89 L3MBTL1 (0.50) TSHRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14025528 0.88 LSS (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL14025530 0.87 NAMPT (0.46) TSHRMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL14025512 0.87 NAMPT (0.44) MEN1KMT2ASMN1; SMN2CYP2D6CYP2C9
SCHEMBL14025477 0.85 TSHR (0.62) TSHRMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL14068492 0.80 TSHR (0.67) TSHRMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL14025479 0.78 MEN1 (0.54) TSHRMEN1KMT2ASMN1; SMN2TNF
SCHEMBL14025702 0.78 PRMT5 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1NAMPT

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 TSHR 4663/4885MEN1 173/4885KMT2A 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.