SCHEMBL5306901

SCHEMBL5306901

[O]CCCC(=O)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TPMT P51580 1/20 0.48
HSD17B3 P37058 7/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PDPK1 O15530 1/20 0.46
HTR7 P34969 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL13670607 0.89 L3MBTL1 (0.61) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL5306907 0.85 NPC1 (0.52) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL4936177 0.83 HSD17B3 (0.69) NPC1RAB9AL3MBTL1HSD17B3HTR7
SCHEMBL13670553 0.83 HDAC1 (0.47) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL5660591 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL3034657 0.82 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL13670554 0.81 HDAC1 (0.50) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL16422179 0.80 HSD17B3 (0.71) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL94885 0.80 L3MBTL1 (0.75) NPC1RAB9AL3MBTL1LMNAMAPT
SCHEMBL30552351 0.78 NR4A2 (0.65) RAB9AL3MBTL1LMNATPMTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B NPC1 2978/4885RAB9A 1825/4885L3MBTL1 3872/4885

“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.