SCHEMBL4656941

SCHEMBL4656941

COc1cc(CCC(=O)Nc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1OCCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 10/20 0.51
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4658142 0.89 RAB9A (0.60) NPC1RAB9AHDAC1HDAC2KMT2A
SCHEMBL4657190 0.87 KMT2A (0.55) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4656984 0.86 NPC1 (0.57) NPC1RAB9AHDAC1HDAC2KMT2A
SCHEMBL4657080 0.86 RAB9A (0.57) NPC1RAB9AHDAC1HDAC2KMT2A
SCHEMBL4657065 0.84 RAB9A (0.59) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL4658134 0.82 NPC1 (0.56) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL4656568 0.81 RAB9A (0.59) NPC1RAB9AHDAC1HDAC2ALDH1A1
SCHEMBL14544258 0.79 RAB9A (0.59) NPC1RAB9AHDAC1HDAC2KMT2A
SCHEMBL13979548 0.77 HDAC1 (0.56) NPC1RAB9AHDAC1HDAC2KMT2A
SCHEMBL4657775 0.77 RAB9A (0.58) NPC1RAB9AHDAC1HDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP claimed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US claimed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US claimed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP claimed
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 EP 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-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA NPC1 2652/4885RAB9A 4149/4885HDAC1 995/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 NPC1 1756/4885RAB9A 4064/4885HDAC1 769/4885

“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.