SCHEMBL2086933

SCHEMBL2086933

c1ccc(-c2ccccc2NC2C3CC4CC(C3)CC2C4)c(NC2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 7/20 0.44
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
CXCR3 P49682 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL15052202 0.81 KDM4E (0.49) BRD4ALDH1A1HTTHSD17B10EPHX2
SCHEMBL8618469 0.78 EPHX2 (0.47) BRD4ALDH1A1HTTHSD17B10EPHX2
SCHEMBL1072522 0.75 BRD4 (0.49) BRD4ALDH1A1HTTHSD17B10EPHX2
SCHEMBL5672302 0.75 EPHX2 (0.56) ALDH1A1HTTHSD17B10EPHX2KMT2A
SCHEMBL15052471 0.74 CYP3A4 (0.51) BRD4ALDH1A1HTTHSD17B10EPHX2
SCHEMBL19375492 0.72 KMT2A (0.40) BRD4ALDH1A1HTTHSD17B10EPHX2
SCHEMBL15052302 0.72 KMT2A (0.56) BRD4EPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL11883625 0.70 HTT (0.50) ALDH1A1HTTHSD17B10KDM4ELMNA
SCHEMBL30002855 0.68 ALDH1A1 (0.62) ALDH1A1HTTHSD17B10EPHX2KMT2A
SCHEMBL1332997 0.65 ALDH1A1 (1.00) ALDH1A1HTTHSD17B10EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US disclosed
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US disclosed
EP-1879872-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-01-23 EP disclosed
WO-2006110198-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-10-19 WO disclosed
US-20060229448-A1 Seven-membered heterocyclic carbenes and their metal complexes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-12 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-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES CYCS, COG7, SOD1 BRD4 1230/4885ALDH1A1 1675/4885HTT 4201/4885
US-20060229448-A1 Seven-membered heterocyclic carbenes and their metal complexes CYCS, COG7, SOD1 BRD4 1230/4885ALDH1A1 1675/4885HTT 4201/4885

“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.