SCHEMBL1002444

SCHEMBL1002444

O=C(O)c1cccc(Sc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.51
KDM6B O15054 1/20 0.51
KDM4A O75164 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL9868752 0.84 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL999887 0.82 RAB9A (0.51) ALDH1A1HPGDCYP1A2CYP2C9KDM4E
SCHEMBL25244294 0.82 POLB (0.60) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL6778027 0.79 HPGD (0.70) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL31383422 0.79 CYP1A2 (0.76) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL2406839 0.79 CYP1A2 (0.76) HPGDCYP1A2CYP2C9HSD17B10APEX1
SCHEMBL2365672 0.79 HPGD (0.51) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL3166763 0.77 KDM4C (0.48) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
Methyl Alcohol SCHEMBL11273876 0.77 L3MBTL1 (0.66) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL2225278 0.77 L3MBTL1 (0.70) ALDH1A1HPGDCYP1A2CYP2C9KDM4E

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 ALDH1A1 188/4885HPGD 2017/4885CYP1A2 298/4885

“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.