SCHEMBL4898103

SCHEMBL4898103

CC(C)c1cccc2c1OC(C(C)C)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.41
PARP1 P09874 1/20 0.37
CREBBP Q92793 4/20 0.35
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
BRPF1 P55201 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL10358533 1.00 BRD4 (0.41) BRD4PARP1CREBBPLMNAGAA
SCHEMBL4971260 0.83 BRD4 (0.52) BRD4PARP1CREBBPLMNAGAA
SCHEMBL20345321 0.83 PARP1 (0.53) BRD4PARP1CREBBPBRPF1TP53
SCHEMBL10359070 0.82 BRD4 (0.38) BRD4PARP1CREBBPLMNAGAA
SCHEMBL4969155 0.82 MEN1 (0.40) BRD4PARP1CREBBPLMNAMEN1
SCHEMBL528970 0.82 BRD4 (0.38) BRD4PARP1CREBBPLMNAGAA
SCHEMBL4971589 0.81 LMNA (0.38) BRD4PARP1CREBBPLMNAGAA
SCHEMBL10359096 0.80 HSD17B10 (0.40) BRD4LMNAGAAMEN1ALDH1A1
SCHEMBL4968610 0.79 BRD4 (0.47) BRD4PARP1CREBBPGAABRPF1
SCHEMBL4968933 0.79 BRD4 (0.37) BRD4PARP1CREBBPLMNAGAA

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
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 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 (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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 BRD4 2716/4885PARP1 4486/4885CREBBP 4190/4885
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 BRD4 3303/4885PARP1 4774/4885CREBBP 2067/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 BRD4 1888/4885PARP1 3257/4885CREBBP 3974/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 BRD4 1949/4885PARP1 3886/4885CREBBP 4142/4885

“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.