SCHEMBL4407567

SCHEMBL4407567

COC(=O)C(C)(C)c1cc(Br)cc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
CNR2 P34972 8/20 0.44
CNR1 P21554 1/20 0.44
KCNN4 O15554 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.34
PLCG1 P19174 1/20 0.34
BRS3 P32247 1/20 0.34
MAPK14 Q16539 2/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL24608584 0.88 CNR2 (0.43) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL25460765 0.88 NOTUM (0.44) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL29175621 0.82 CNR2 (0.46) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL31121937 0.82 CNR1 (0.47) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL1866251 0.82 CNR1 (0.47) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL12678867 0.81 CNR2 (0.45) NOTUMCNR2CNR1KCNN4KMT2A
SCHEMBL2067615 0.80 CYP1A2 (0.43) NOTUMCNR2CNR1SMN1; SMN2BRS3
SCHEMBL6628 0.80 KMT2A (0.49) CNR2CNR1KCNN4KMT2ASMN1; SMN2
SCHEMBL15515852 0.79 CNR2 (0.50) CNR2CNR1KCNN4LMNAPLCG1
SCHEMBL15458985 0.79 CNR2 (0.36) NOTUMCNR2CNR1SMN1; SMN2

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-11938114-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-03-26 US disclosed
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-05-13 US disclosed
US-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 US disclosed
WO-2018165614-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 WO disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 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 (5 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-11938114-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 NOTUM 1536/4885CNR2 4288/4885CNR1 3708/4885
US-10836706-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 NOTUM 1536/4885CNR2 4288/4885CNR1 3708/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 NOTUM 2460/4885CNR2 147/4885CNR1 56/4885
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 NOTUM 1536/4885CNR2 4288/4885CNR1 3708/4885
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 NOTUM 1536/4885CNR2 4288/4885CNR1 3708/4885

“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.