SCHEMBL1996083

SCHEMBL1996083

CS(=O)(=O)N(c1cccc(C(=O)Nc2cc(O)ccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
TSHR P16473 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SIRT2 Q8IXJ6 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
BRAF P15056 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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 0.90 TSHR (0.45) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1990504 0.88 FFAR2 (0.39) GRM5TSHRRAB9ANPC1SIRT2
SCHEMBL1990300 0.86 SMN1; SMN2 (0.49) TSHRRAB9ANPC1SIRT2SMN1; SMN2
SCHEMBL1551291 0.85 MEN1 (0.47) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1990889 0.84 NPC1 (0.37) TSHRRAB9ANPC1SIRT2SMN1; SMN2
SCHEMBL1987629 0.82 EGFR (0.35) GRM5TSHRRAB9ANPC1SIRT2
SCHEMBL1993582 0.82 KCNQ3 (0.39) TSHRRAB9ANPC1SIRT2SMN1; SMN2
SCHEMBL2906643 0.82 CACNA2D1 (0.39) TSHRLMNATDP1MEN1KMT2A
SCHEMBL977045 0.81 CACNA2D1 (0.41) TDP1MEN1KMT2A
SCHEMBL1989675 0.81 NPC1 (0.37) RAB9ANPC1KMT2A

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 GRM5 4012/4885TSHR 795/4885RAB9A 468/4885

“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.