SCHEMBL96820

SCHEMBL96820

OCc1nnnn1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 3/20 0.54
P2RX7 Q99572 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
TSHR P16473 2/20 0.50
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL5592781 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4406847 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL16992773 0.83 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1LMNATSHR
Ammonia Solution, Strong SCHEMBL14874912 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL1414345 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL96819 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL156417 0.82 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL12761278 0.81 HDAC1 (0.54) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL95273 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAP2RX7
Hydrochloric Acid SCHEMBL1414298 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
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
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 2948/4885KMT2A 1059/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KMT2A 2732/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KMT2A 2732/4885MEN1 3912/4885

“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.