SCHEMBL3461673

SCHEMBL3461673

CCN(CC)CCOc1c2[nH]c3ccc(Br)cc3c2cc2c1[nH]c1ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALK Q9UM73 1/20 0.41
KIT P10721 1/20 0.39
AR P10275 1/20 0.39
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PIM3 Q86V86 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KDR P35968 4/20 0.36
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3462480 0.87 SLC6A4 (0.42) ARPARP1KDM4EPIM3NPSR1
SCHEMBL13463372 0.86 ACHE (0.45) SMN1; SMN2KITPARP1KDM4ENPSR1
SCHEMBL3460428 0.85 MPO (0.46) SMN1; SMN2KITPARP1KDM4ENPSR1
SCHEMBL3461117 0.85 ACHE (0.46) ALKKITPARP1KDM4EALDH1A1
SCHEMBL3460992 0.84 KDM4E (0.40) SMN1; SMN2ARKDM4EPIM3NPSR1
SCHEMBL1827429 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALKPARP1KDM4ENPSR1
SCHEMBL3460748 0.83 SLC6A4 (0.47) SMN1; SMN2ARKDM4EPIM3ALDH1A1
SCHEMBL3462132 0.83 HTR2A (0.44) SMN1; SMN2ALKKDM4EALDH1A1LMNA
SCHEMBL3462621 0.81 KIT (0.38) KITPARP1KDM4ENPSR1NSD2
SCHEMBL3459982 0.81 AR (0.42) KITARPIM3NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP claimed
US-10646471-B2 Lipoxygenase inhibitors SRI INTERNATIONAL (US) 2020-05-12 US disclosed
EP-2694057-B1 LIPOXYGENASE INHIBITORS STANFORD RES INST INT (US) 2019-06-05 EP disclosed
US-20170095450-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL 2017-04-06 US disclosed
EP-2326327-B1 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION STANFORD RES INST INT (US) 2016-03-23 EP disclosed
EP-2694057-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2014-02-12 EP disclosed
US-20130345214-A1 Lipoxygenase Inhibitors SRI INTERNATIONAL, INC. (US) 2013-12-26 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-8399502-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2013-03-19 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection SRI INTERNATIONAL 2012-11-08 US disclosed
WO-2012135133-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2012-10-04 WO disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 US disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 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 (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-20170095450-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 SMN1; SMN2 3334/4885ALK 3465/4885KIT 4740/4885
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 SMN1; SMN2 4340/4885ALK 4276/4885KIT 3137/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 SMN1; SMN2 4340/4885ALK 4276/4885KIT 3137/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 SMN1; SMN2 3334/4885ALK 3465/4885KIT 4740/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 SMN1; SMN2 3334/4885ALK 3465/4885KIT 4740/4885

“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.