SCHEMBL1001310

SCHEMBL1001310

CC(CN)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
POLB P06746 2/20 0.56
ALDH1A1 P00352 2/20 0.56
IDO1 P14902 1/20 0.56
MLKL Q8NB16 3/20 0.53
KMT2A Q03164 2/20 0.51
ALPL P05186 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DDAH1 O94760 1/20 0.47
MASP2 O00187 1/20 0.47
MEN1 O00255 1/20 0.47
NUDT1 P36639 1/20 0.47
AOC3 Q16853 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1284420 0.84 TAAR1 (0.59) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL14029834 0.84 TAAR1 (0.56) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL9255168 0.82 ALDH1A1 (0.59) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL6756155 0.81 TAAR1 (0.56) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL3523940 0.81 TAAR1 (0.69) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL524001 0.80 TAAR1 (0.68) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL12737571 0.80 TAAR1 (0.68) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL8330903 0.80 TAAR1 (0.68) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL9519998 0.80 TAAR1 (0.55) TAAR1POLBALDH1A1IDO1MLKL
SCHEMBL7098832 0.80 IDO1 (0.57) TAAR1POLBALDH1A1IDO1MLKL

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
EP-2280001-B1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD KK (JP) 2014-10-15 EP disclosed
US-8420823-B2 Long-chain fatty acyl elongase inhibitor comprising arylsulfonyl derivative as active ingredient MSD K.K. (JP) 2013-04-16 US disclosed
EP-2280001-A1 LONG-CHAIN FATTY ACID ELONGATION ENZYME INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT Banyu Pharmaceutical Co., Ltd. (JP) 2011-02-02 EP disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 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-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 TAAR1 4145/4885POLB 3156/4885ALDH1A1 188/4885

“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.