SCHEMBL1001293

SCHEMBL1001293

c1ccc2oc(C3CCCNC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.56
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2B P41595 1/20 0.43
CHRM1 P11229 2/20 0.42
HRH1 P35367 2/20 0.42
THRB P10828 2/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL23411036 0.88 LMNA (0.49) MPOLMNANPC1ALDH1A1RAB9A
SCHEMBL29891587 0.88 LMNA (0.49) MPOLMNANPC1ALDH1A1RAB9A
SCHEMBL2574181 0.84 LMNA (0.49) MPOLMNANPC1ALDH1A1RAB9A
SCHEMBL4457699 0.82 RAB9A (0.59) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14895871 0.82 LMNA (0.57) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL373400 0.81 MPO (0.54) MPOLMNANPC1ALDH1A1RAB9A
SCHEMBL1128181 0.81 RAB9A (0.62) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14555059 0.81 MPO (0.61) MPOLMNANPC1ALDH1A1RAB9A
SCHEMBL26862272 0.79 LMNA (0.60) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14555072 0.78 MPO (0.48) MPOCHRM1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
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 MPO 2730/4885LMNA 1767/4885NPC1 899/4885

“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.