SCHEMBL94681

SCHEMBL94681

COC(=O)N[CH]c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNN4 O15554 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
AKR1C3 P42330 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL1647598 0.81 NFKB1 (0.49) SMN1; SMN2GAAKCNN4NPC1RAB9A
SCHEMBL4912299 0.81 MEN1 (0.54) ALDH1A1SMN1; SMN2HPGDGLAGAA
SCHEMBL7895786 0.80 RAD51 (0.53) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL7559019 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HPGDGLAGAA
SCHEMBL60234 0.78 AKR1C3 (0.48) ALDH1A1SMN1; SMN2GLATSHRNPC1
SCHEMBL4922122 0.78 LMNA (0.50) ALDH1A1SMN1; SMN2HPGDGAANPC1
SCHEMBL3826924 0.78 NPC1 (0.45) ALDH1A1SMN1; SMN2GLANPC1RAB9A
SCHEMBL3928127 0.77 LMNA (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3930322 0.76 TDP1 (0.58) ALDH1A1SMN1; SMN2HPGDGAAKDM4E
Hydrochloric Acid SCHEMBL27730029 0.76 NPC1 (0.44) ALDH1A1SMN1; SMN2GLANPC1RAB9A

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 16 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-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 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 (4 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 2948/4885SMN1; SMN2 3998/4885HPGD 2146/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885SMN1; SMN2 3084/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885SMN1; SMN2 3084/4885HPGD 2322/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885SMN1; SMN2 2439/4885HPGD 1448/4885

“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.