SCHEMBL14025528

SCHEMBL14025528

CN1CCN(Cc2ccc(S(=O)(=O)N3CCc4cccnc4C3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
HTR6 P50406 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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 0.91 TSHR (0.47) LSSSMN1; SMN2NAMPTLMNAMEN1
SCHEMBL14025519 0.90 TSHR (0.49) LSSSMN1; SMN2USP2NAMPTLMNA
SCHEMBL14025701 0.88 KDM4E (0.44) LSSHTR6NAMPTMEN1KMT2A
SCHEMBL14025512 0.88 NAMPT (0.44) LSSSMN1; SMN2HTR6NAMPTLMNA
SCHEMBL14025530 0.88 NAMPT (0.46) LSSSMN1; SMN2USP2L3MBTL1NAMPT
SCHEMBL14025516 0.88 TSHR (0.53) LSSSMN1; SMN2NAMPTLMNAMEN1
SCHEMBL14025493 0.85 KMT2A (0.62) LSSSMN1; SMN2USP2LMNAMEN1
SCHEMBL14025501 0.80 LSS (0.60) LSSSMN1; SMN2USP2HTR6L3MBTL1
SCHEMBL14025479 0.79 MEN1 (0.54) SMN1; SMN2NAMPTLMNAMEN1KMT2A
SCHEMBL14025702 0.79 PRMT5 (0.46) SMN1; SMN2NAMPTMEN1KMT2AALDH1A1

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 3 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
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.