SCHEMBL1990504

SCHEMBL1990504

CS(=O)(=O)N(c1cccc(C(=O)Nc2ncccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT2 Q8IXJ6 7/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP36 Q9P275 1/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSF1R P07333 1/20 0.35
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL1989681 0.91 TSHR (0.45) FFAR2TP53TSHRNPC1RAB9A
SCHEMBL1550616 0.89 FFAR2 (0.37) FFAR2TSHRNPC1RAB9ASIRT2
SCHEMBL1996083 0.88 GRM5 (0.40) TSHRNPC1RAB9ASIRT2TDP1
SCHEMBL1551291 0.88 MEN1 (0.47) FFAR2TSHRNPC1RAB9ATDP1
SCHEMBL1989675 0.86 NPC1 (0.37) TP53MAPTNPC1RAB9AKMT2A
SCHEMBL1990889 0.85 NPC1 (0.37) MAPTTSHRNPC1RAB9ASIRT2
SCHEMBL1990300 0.85 SMN1; SMN2 (0.49) FFAR2TSHRNPC1RAB9ASIRT2
SCHEMBL1993582 0.85 KCNQ3 (0.39) MAPTTSHRNPC1RAB9ASIRT2
SCHEMBL977045 0.84 CACNA2D1 (0.41) TDP1MEN1KMT2A
SCHEMBL1990049 0.84 MEN1 (0.45) FFAR2TP53MAPTTSHRSIRT2

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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US claimed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S FFAR2 3135/4885TP53 2632/4885MAPT 4778/4885

“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.