SCHEMBL96806

SCHEMBL96806

[O]CCCCSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPK1 P28482 1/20 0.61
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C19 P33261 4/20 0.50
KDM4E B2RXH2 1/20 0.45
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 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
SCHEMBL95505 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL97655 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL95856 0.93 ALDH1A1 (0.64) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL420011 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5167895 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5169003 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL95987 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL1931125 0.83 ALDH1A1 (0.78) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL22504711 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL9770300 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ALDH1A1 2948/4885MAPK1 173/4885HDAC3 861/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MAPK1 982/4885HDAC3 2606/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MAPK1 982/4885HDAC3 2606/4885

“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.