SCHEMBL7095580

SCHEMBL7095580

CCN1C(=O)Cc2cc(C(=O)CCCCl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
ATAD2 Q6PL18 1/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 4/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HDAC1 Q13547 2/20 0.36

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
SCHEMBL4894332 0.88 BRD4 (0.48) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL7234123 0.85 BRD4 (0.50) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL7413515 0.81 BRD4 (0.50) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9666372 0.81 BRD4 (0.51) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9376138 0.81 POLB (0.51) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9668299 0.78 BRD4 (0.46) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9667697 0.77 BRD4 (0.51) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9667208 0.76 SRD5A1 (0.51) BRD4ALDH1A1GAAHPGDMEN1
SCHEMBL9667595 0.76 ALDH1A1 (0.47) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL9667676 0.76 ATAD2 (0.48) BRD4ALDH1A1GAAATAD2BMPR1B

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-0985414-B1 Medicament for the treatment of glaucoma and ischemic retinopathy PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-6387904-B2 COMPOUND CONTAINING PIPERAZINE RING PFIZER INC 2002-05-14 US disclosed
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY HOWARD HARRY R (US) 2002-01-10 US disclosed
EP-0985414-A2 Method of treating glaucoma and ischemic retinopathy Pfizer Products Inc. (US) 2000-03-15 EP disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP 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-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY ALDH1A2, NDUFB7, PTGS1 BRD4 4582/4885ALDH1A1 204/4885GAA 330/4885

“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.