SCHEMBL3521937

SCHEMBL3521937

CCN1C(=O)CC(=O)Nc2ccc(OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HIF1A Q16665 1/20 0.50
BLM P54132 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL1239192 0.82 PDE3B (0.56) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11803705 0.81 AHR (0.50) ALDH1A1MEN1KMT2AMAPTBLM
SCHEMBL3516431 0.80 USP2 (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1239067 0.77 KMT2A (0.53) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL26646898 0.76 BRD4 (0.56) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3520208 0.75 LMNA (0.49) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL11553211 0.73 PDE3B (0.52) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL30094448 0.73 PDE3B (0.68) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL20385703 0.73 PDE3B (0.46) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11812432 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254873-B1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-06-04 EP disclosed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 US disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 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 (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-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 PDE3B 1020/4885PDE3A 1621/4885ALDH1A1 1848/4885
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 PDE3B 1020/4885PDE3A 1621/4885ALDH1A1 1848/4885

“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.