SCHEMBL2616481

SCHEMBL2616481

Nc1ccc(Cl)cc1C(=O)c1nnn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
FADS1 O60427 2/20 0.43
NOS2 P35228 2/20 0.41
IDO1 P14902 3/20 0.40
GCK P35557 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ABL1 P00519 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2616484 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1TSHRTDP1
SCHEMBL9540049 0.77 RECQL (0.79) RECQLFADS1NOS2GCKSMN1; SMN2
SCHEMBL10885312 0.76 GCK (0.54) RECQLFADS1GCKKMT2AALDH1A1
SCHEMBL344499 0.73 RECQL (0.51) RECQLFADS1NOS2IDO1GCK
SCHEMBL9519121 0.73 RECQL (0.51) RECQLFADS1NOS2IDO1GCK
SCHEMBL27373824 0.73 RECQL (0.48) RECQLFADS1NOS2IDO1GCK
SCHEMBL9685958 0.72 RECQL (0.53) RECQLFADS1NOS2IDO1GCK
SCHEMBL343277 0.72 RECQL (0.53) RECQLFADS1NOS2IDO1GCK
SCHEMBL9686196 0.71 MAPT (0.61) RECQLFADS1NOS2IDO1SMN1; SMN2
SCHEMBL6351799 0.71 RECQL (0.64) RECQLFADS1NOS2SMN1; SMN2GFER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 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 (2 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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 RECQL 4662/4885FADS1 1693/4885NOS2 1375/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 RECQL 4662/4885FADS1 1693/4885NOS2 1375/4885

“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.