SCHEMBL6029933

SCHEMBL6029933

COC(=O)C(=O)c1c[nH]c2cc(Br)ccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.57
CYP2A6 P11509 1/20 0.45
MAPT P10636 1/20 0.45
CREBBP Q92793 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL1559279 0.88 NR4A2 (0.74) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL497746 0.85 NR4A2 (0.78) NR4A2CYP2A6MAPTCREBBPGABRA1
SCHEMBL30539775 0.85 GABRA1 (0.56) NR4A2MAPTGABRA1GABRB1GABRA3
SCHEMBL22445235 0.85 GABRA1 (0.56) NR4A2MAPTGABRA1GABRB1GABRA3
SCHEMBL6029944 0.84 NR4A2 (0.73) NR4A2MAPTCREBBPTUBB1
SCHEMBL6030601 0.82 NR4A2 (0.51) NR4A2MAPTCREBBPGABRA1GABRB1
SCHEMBL6334125 0.82 NR4A2 (0.74) NR4A2MAPTGABRA1GABRB1GABRA3
SCHEMBL6029910 0.82 MAPT (0.66) NR4A2MAPTGABRA1GABRB1GABRA3
SCHEMBL1557611 0.81 CYP2A6 (0.50) NR4A2CYP2A6
SCHEMBL6332786 0.81 NPC1 (0.61) NR4A2MAPTCREBBPTUBB1

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
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 NR4A2 23/4885CYP2A6 1550/4885MAPT 3259/4885
US-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 NR4A2 1135/4885CYP2A6 3148/4885MAPT 3228/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 NR4A2 2139/4885CYP2A6 4128/4885MAPT 3448/4885

“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.