SCHEMBL8185372

SCHEMBL8185372

BrCCC=C1c2ccccc2Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
LMNA P02545 6/20 0.49
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 5/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49
ADRA2A P08913 3/20 0.49
DRD2 P14416 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
ADRA1A P35348 3/20 0.49
HRH1 P35367 3/20 0.49
DRD3 P35462 3/20 0.49
SLC6A3 Q01959 3/20 0.49
KCNH2 Q12809 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
HTR1A P08908 2/20 0.49
HTR6 P50406 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49

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
SCHEMBL7815467 0.81 CYP1A2 (0.41) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL15908333 0.81 SIGMAR1 (0.50) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL3939116 0.80 ALDH1A1 (0.65) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL14697614 0.79 LMNA (0.50) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
Iodide SCHEMBL1775657 0.79 ALDH1A1 (0.68) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL6970125 0.79 ALDH1A1 (0.71) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL655612 0.79 ALDH1A1 (0.71) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
SCHEMBL655611 0.79 ALDH1A1 (0.71) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
Prothixene SCHEMBL623020 0.77 SLC6A2 (0.76) SIGMAR1LMNACYP3A4CYP2D6CYP1A2
Prothixene SCHEMBL30557147 0.77 SLC6A2 (0.76) SIGMAR1LMNACYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766873-B2 Zuclopenthixol hydrochloride derivatives and Ebselen derivatives as ErbB2 inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-09-08 US disclosed
US-20190031639-A1 ZUCLOPENTHIXOL HYDROCHLORIDE DERIVATIVES AND EBSELEN DERIVATIVES AS ERBB2 INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-01-31 US disclosed
EP-3402481-A1 ZUCLOPENTHIXOL HYDROCHLORIDE DERIVATIVES AND EBSELEN DERIVATIVES AS ERBB2 INHIBITORS Centre National de la Recherche Scientifique (CNRS) (FR) 2018-11-21 EP disclosed
WO-2017121755-A1 ZUCLOPENTHIXOL HYDROCHLORIDE DERIVATIVES AND EBSELEN DERIVATIVES AS ERBB2 INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-20 WO disclosed
WO-2017121755-A1 ZUCLOPENTHIXOL HYDROCHLORIDE DERIVATIVES AND EBSELEN DERIVATIVES AS ERBB2 INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-20 WO disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-5795888-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1998-08-18 US disclosed
US-5741791-A ADMINISTERING COMPOUNDS WHICH INHIBIT SECRETION, CIRCULATION OR EFFECT OF INSULIN ANTAGONIZING PEPTIDES; CAN BE USED TO TREAT NON-INSULIN-DEPENDENT DIABETES MELLITUS NOVO NORDISK A/S (DK) 1998-04-21 US disclosed
US-5721254-A ANTIINFLAMMATORY AGENTS; ANALGESICS NOVO NORDISK A/S (DK) 1998-02-24 US disclosed
US-5712292-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK A/S (DK) 1998-01-27 US disclosed
US-5693649-A ADMINISTERING TO TREAT NEUROGENIC INFLAMMATION, MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1997-12-02 US disclosed
US-5688788-A ANTIINFLAMMATORY, ANALGESIC NOVO NORDISK A/S (DK) 1997-11-18 US disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 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 (3 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-20190031639-A1 ZUCLOPENTHIXOL HYDROCHLORIDE DERIVATIVES AND EBSELEN DERIVATIVES AS ERBB2 INHIBITORS ERBB2, ERBB3, EGFR SIGMAR1 3662/4885LMNA 4093/4885CYP3A4 3407/4885
US-10766873-B2 Zuclopenthixol hydrochloride derivatives and Ebselen derivatives as ErbB2 inhibitors ERBB2, ERBB3, EGFR SIGMAR1 3662/4885LMNA 4093/4885CYP3A4 3407/4885
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 SIGMAR1 3567/4885LMNA 4094/4885CYP3A4 1910/4885

“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.