SCHEMBL14025680

SCHEMBL14025680

O=S(=O)(c1cccc(CNCC2CCc3cccnc3C2)c1)N1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.46
AKR1C1 Q04828 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
NAMPT P43490 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL14025668 0.84 AKR1C3 (0.46) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025699 0.82 MEN1 (0.47) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025654 0.79 MEN1 (0.51) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025670 0.79 AKR1C3 (0.40) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025669 0.78 AKR1C3 (0.38) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025703 0.78 NAMPT (0.56) AKR1C3KMT2ANAMPTNPC1
SCHEMBL14025659 0.78 MEN1 (0.64) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025660 0.78 AKR1C3 (0.53) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025661 0.77 AKR1C3 (0.62) AKR1C3AKR1C1MEN1KMT2APOLB
SCHEMBL14025656 0.76 HDAC1 (0.48) AKR1C3AKR1C1MEN1KMT2APOLB

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
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

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 AKR1C3 518/4885AKR1C1 528/4885MEN1 173/4885

“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.