SCHEMBL3189459

SCHEMBL3189459

CN(C)CCOc1c2[nH]c3ccccc3c2cc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
HTR1B P28222 1/20 0.44
HTR6 P50406 1/20 0.43
TNKS O95271 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ACHE P22303 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
TERT O14746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
LTA4H P09960 1/20 0.40
HTR7 P34969 1/20 0.40
NQO2 P16083 1/20 0.39
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL23861161 0.88 MEN1 (0.49) MAOAHTR1BHTR6TNKSMBTD1
SCHEMBL3462132 0.86 HTR2A (0.44) HTR1BHTR6HTR2AHTR2CTERT
SCHEMBL3461086 0.85 GABRP (0.45) HTR1BCYP3A4MAPTKDM4EALDH1A1
SCHEMBL3460911 0.82 KDM4E (0.45) MAOACYP3A4MAPTNQO2KIF11
SCHEMBL1921075 0.82 MPO (0.44) MAOAACHETERTMAPTKIF11
SCHEMBL3461587 0.82 MAOA (0.48) MAOAHTR1BKIF11ALDH1A1MEN1
SCHEMBL3460311 0.82 ADRA2A (0.49) MAOAHTR6L3MBTL1ACHEMAPT
SCHEMBL3462480 0.82 SLC6A4 (0.42) MAOAHTR6HTR7KDM4EALDH1A1
SCHEMBL23875439 0.81 HTR1B (0.47) MAOAHTR1BHTR6TNKSMBTD1
SCHEMBL30227394 0.81 HTR1B (0.47) MAOAHTR1BHTR6TNKSMBTD1

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 36 patents — showing the first 20. 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-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
EP-1530572-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS STANFORD RES INST INT (US) 2008-10-15 EP disclosed
US-7429610-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2008-09-30 US disclosed
US-7078427-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-07-18 US disclosed
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL (US) 2006-06-15 US disclosed
EP-1623985-A2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventative agents Sri International (US) 2006-02-08 EP disclosed
EP-1530572-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS Sri International (US) 2005-05-18 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
WO-2004018475-A2 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS SRI INTERNATIONAL (US) 2004-03-04 WO disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 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 (6 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 MAOA 23/4885HTR1B 170/4885HTR6 629/4885
US-20060128785-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, CCND3, FOXM1 MAOA 832/4885HTR1B 99/4885HTR6 130/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 MAOA 23/4885HTR1B 170/4885HTR6 629/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 MAOA 23/4885HTR1B 170/4885HTR6 629/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 MAOA 611/4885HTR1B 101/4885HTR6 54/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 MAOA 611/4885HTR1B 101/4885HTR6 54/4885

“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.