SCHEMBL14025501

SCHEMBL14025501

CN1CCN(Cc2ccc(S(=O)(=O)N3Cc4ccccc4C3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 2/20 0.55
MC4R P32245 1/20 0.55
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.53
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL14025493 0.92 KMT2A (0.62) LSSSMN1; SMN2USP2LMNATSHR
SCHEMBL14025511 0.89 LMNA (0.56) LSSSMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL14025495 0.89 TSHR (0.60) SMN1; SMN2LMNATSHRPOLBALDH1A1
SCHEMBL14025508 0.87 LMNA (0.55) LSSSMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL14025498 0.87 TSHR (0.63) SMN1; SMN2USP2LMNATSHRALDH1A1
SCHEMBL14025510 0.86 LSS (0.55) LSSSMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL14025679 0.85 ALDH1A1 (0.55) MC4RPOLBHTR6ALDH1A1
SCHEMBL14025499 0.85 LSS (0.60) LSSSMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL14025502 0.85 TSHR (0.50) SMN1; SMN2LMNATSHRL3MBTL1POLB
SCHEMBL14068492 0.85 TSHR (0.67) SMN1; SMN2LMNATSHRPOLBALDH1A1

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 LSS 2842/4885SMN1; SMN2 3131/4885USP2 4040/4885

“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.