SCHEMBL4075983

SCHEMBL4075983

CN(Cc1nccn1Cc1ccc(C(=O)O)cc1)Cc1nccn1S(=O)(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
PABPC1 P11940 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR4A1 P22736 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4071647 0.88 ALDH1A1 (0.38) AGTR1AGTR2L3MBTL1RAB9AALDH1A1
SCHEMBL4070185 0.83 ALDH1A1 (0.38) AGTR1AGTR2MEN1KMT2AL3MBTL1
SCHEMBL4070319 0.82 FPR2 (0.37) L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4077329 0.73 OPRD1 (0.46) ALDH1A1
SCHEMBL2125333 0.71 FGFR1 (0.37) KDM4EGAA
SCHEMBL2127136 0.71 FGFR1 (0.37)
SCHEMBL22775315 0.70 L3MBTL1 (0.57) MEN1KMT2ATP53PABPC1L3MBTL1
SCHEMBL2693461 0.70 TSHR (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4215152 0.68 SORD (0.42) KDM4EALDH1A1GAA
SCHEMBL4068215 0.68 FGFR1 (0.35) AGTR1AGTR2MEN1KMT2AL3MBTL1

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 AGTR1 363/4885AGTR2 770/4885MEN1 2211/4885

“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.