SCHEMBL14352883

SCHEMBL14352883

COCCOc1cc(Cl)c(C(=O)NCc2ccc(Br)cc2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 3/20 0.66
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ TAOK1 Q7L7X3 1/20 0.43
▸ TAOK3 Q9H2K8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL14353010 0.80 ALDH2 (1.00) ALDH2MAPT
SCHEMBL28807425 0.77 MAOA (0.55) HPGDKDM4EGLAL3MBTL1AKR1B1
SCHEMBL14352803 0.77 ALDH2 (0.62) ALDH2ALDH1A1MAPT
SCHEMBL18699124 0.76 ALDH2 (0.50) ALDH2HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL26922366 0.76 ALDH2 (0.57) ALDH2HPGDL3MBTL1ALDH1A1MAPT
SCHEMBL25300444 0.72 ALDH2 (0.46) ALDH2HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL14352988 0.72 ALDH2 (0.46) ALDH2HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL13744662 0.72 TP53 (0.50) HPGDL3MBTL1AKR1B1ALDH1A1LMNA
SCHEMBL26921983 0.71 KMT2A (0.45) ALDH2AKR1B1ALDH1A1NPC1RAB9A
SCHEMBL26922558 0.70 ALDH2 (0.61) ALDH2L3MBTL1ALDH1A1MAPTMEN1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180338989-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2018-11-29 — — US disclosed
US-9987295-B2 Compounds for the treatment of addiction AMYGDALA NEUROSCIENCES, INC. (US) 2018-06-05 — — US disclosed
US-9987295-B2 Compounds for the treatment of addiction AMYGDALA NEUROSCIENCES, INC. (US) 2018-06-05 — — US disclosed
EP-2993170-B1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES INC (US) 2017-10-25 — — EP disclosed
EP-2993170-B1 N-[4-(2-OXO-1,2-DIHYDRO-PYRIDIN-4-YL)-BENZYL]-BENZAMIDE DERIVATIVES AS ALDH-2 INHIBITORS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES INC (US) 2017-10-25 — — EP disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. (US) 2017-09-21 — — US disclosed
US-9610299-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2017-04-04 — — US disclosed
US-9610299-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2017-04-04 — — US disclosed
US-8558001-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-10-15 — — US disclosed
US-8558001-B2 Compounds for the treatment of addiction GILEAD SCIENCES, INC. (US) 2013-10-15 — — US disclosed
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
WO-2013006400-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
WO-2013006400-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 — — US disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 — — US disclosed
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION GILEAD SCIENCES, INC. (US) 2013-01-03 — — 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 (4 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-20180338989-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 ALDH2 393/4885HPGD 369/4885KDM4E 2510/4885
US-20130203704-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 ALDH2 393/4885HPGD 369/4885KDM4E 2510/4885
US-20130005689-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 ALDH2 393/4885HPGD 369/4885KDM4E 2510/4885
US-20170266210-A1 COMPOUNDS FOR THE TREATMENT OF ADDICTION OPRK1, OPRM1, OPRD1 ALDH2 393/4885HPGD 369/4885KDM4E 2510/4885

“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.

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