SCHEMBL14025490

SCHEMBL14025490

CS(=O)(=O)N1CCN(Cc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
AKR1C3 P42330 2/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL14025511 0.93 LMNA (0.56) TSHRLMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14025493 0.90 KMT2A (0.62) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025474 0.88 KMT2A (0.65) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025665 0.87 MEN1 (0.55) KMT2AMEN1AKR1C3SMN1; SMN2CYP3A4
SCHEMBL14025486 0.87 KMT2A (0.55) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025473 0.86 KMT2A (0.63) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025480 0.85 KMT2A (0.61) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025472 0.84 KMT2A (0.60) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL14025477 0.84 TSHR (0.62) KMT2AMEN1AKR1C3TSHRLMNA
SCHEMBL4786278 0.84 KMT2A (0.60) KMT2AMEN1AKR1C3TSHRLMNA

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 173/4885AKR1C3 518/4885

“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.