Sugi Predict

Sugi Predict / Compounds / SCHEMBL3461041

SCHEMBL3461041

SCHEMBL3461041

c1ccc2c(c1)[nH]c1c(OCCN3CCNCC3)c3[nH]c4ccccc4c3cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LTA4H P09960 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ RET P07949 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CXCR4 P61073 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL3462893 0.88 POLB (0.48) ALDH1A1LTA4HKDM4EKMT2ADRD2
SCHEMBL3462887 0.86 MAOB (0.51) ALDH1A1LTA4HSIGMAR1KDM4EHPGD
SCHEMBL3461974 0.84 FLT3 (0.45) ALDH1A1SMN1; SMN2LTA4HSIGMAR1PARP1
SCHEMBL3459880 0.84 FLT3 (0.44) ALDH1A1SMN1; SMN2LTA4HPARP1KDM4E
SCHEMBL3461859 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LTA4HKDM4ETP53
SCHEMBL3460985 0.80 FLT3 (0.42) SMN1; SMN2LTA4HSIGMAR1PARP1KDM4E
SCHEMBL3460051 0.80 MEN1 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3460753 0.80 CYP2D6 (0.50) ALDH1A1SIGMAR1KDM4EHPGDMEN1
SCHEMBL13463747 0.79 FLT3 (0.40) ALDH1A1SMN1; SMN2LTA4HPARP1KDM4E
SCHEMBL12821562 0.76 FLT3 (0.39) ALDH1A1PARP1KDM4EFLT3HPGD

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 ALDH1A1 608/4885SMN1; SMN2 3334/4885LTA4H 10/4885
US-20120283240-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 ALDH1A1 1789/4885SMN1; SMN2 4340/4885LTA4H 1347/4885
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 ALDH1A1 1789/4885SMN1; SMN2 4340/4885LTA4H 1347/4885
US-20130345214-A1 Lipoxygenase Inhibitors ALOX15B, ALOX12, ALOX15 ALDH1A1 608/4885SMN1; SMN2 3334/4885LTA4H 10/4885
US-10646471-B2 Lipoxygenase inhibitors ALOX15B, ALOX12, ALOX15 ALDH1A1 608/4885SMN1; SMN2 3334/4885LTA4H 10/4885

“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.