SCHEMBL4074571

SCHEMBL4074571

CN(C)S(=O)(=O)n1ccnc1CNCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.40
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HTR6 P50406 2/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL2126277 0.89 KDM4E (0.36) TSHRALDH1A1FGFR1FGFR2FGFR4
SCHEMBL2125726 0.87 MEN1 (0.37) MEN1KMT2ATSHRCA2CA1
SCHEMBL2694828 0.82 MEN1 (0.38) MEN1KMT2ATSHRFGFR1FGFR2
SCHEMBL2693461 0.80 TSHR (0.41) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL4068129 0.79 KDM4E (0.36) TSHRALDH1A1FGFR1FGFR2FGFR4
SCHEMBL2480641 0.74 MEN1 (0.58) MEN1KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL8142536 0.74 TSHR (0.48) KMT2ATSHRALDH1A1FGFR1FGFR2
SCHEMBL4213740 0.73 KMT2A (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL6747578 0.73 TSHR (0.40) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL16125136 0.72 KDM4E (0.37) TSHRALDH1A1FGFR1FGFR2FGFR4

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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 MEN1 2211/4885KMT2A 4395/4885TSHR 1517/4885

“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.