SCHEMBL18911978

SCHEMBL18911978

C=Cc1ccc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
RIPK1 Q13546 2/20 0.43
RIPK3 Q9Y572 2/20 0.43
DYRK1A Q13627 8/20 0.40
CLK4 Q9HAZ1 4/20 0.40
CLK1 P49759 4/20 0.39
DYRK1B Q9Y463 4/20 0.39
DYRK2 Q92630 3/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CLK2 P49760 1/20 0.39
ESR1 P03372 2/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL19140129 0.85 DYRK1A (0.52) ALDH1A1HSD17B10DYRK1ACLK4CLK1
SCHEMBL27362369 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10RIPK1RIPK3DYRK1A
SCHEMBL1419323 0.81 CYP2A6 (0.47) ALDH1A1HSD17B10DYRK1ACLK4CLK1
SCHEMBL7218395 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10RIPK1RIPK3DYRK1A
SCHEMBL16693063 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10DYRK1ACLK4CLK1
SCHEMBL8039455 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10RIPK1RIPK3ESR1
SCHEMBL8039453 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10RIPK1RIPK3ESR1
SCHEMBL1850868 0.75 NFE2L2 (0.44) ALDH1A1HSD17B10RIPK1RIPK3DYRK1A
SCHEMBL1850866 0.75 NFE2L2 (0.44) ALDH1A1HSD17B10RIPK1RIPK3DYRK1A
Benzo[D]Thiazole SCHEMBL27574416 0.74 ALDH1A1 (0.68) ALDH1A1HSD17B10RIPK1RIPK3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
EP-4583865-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Mydecine Innovations Group Inc. (US) 2025-07-16 EP disclosed
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC (US) 2024-12-05 US disclosed
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Altrartis Therapeutics Inc. 2024-03-21 US disclosed
WO-2024054279-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC. (US) 2024-03-14 WO disclosed
US-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US disclosed
EP-3247397-B1 METAL-GLYCOPROTEIN COMPLEXES AND THEIR USE AS CHEMOTHERAPEUTIC COMPOUNDS THERALASE TECH INC (CA) 2021-05-19 EP disclosed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 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 (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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C ALDH1A1 1951/4885HSD17B10 1783/4885RIPK1 2381/4885
US-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L ALDH1A1 538/4885HSD17B10 2827/4885RIPK1 1704/4885
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E ALDH1A1 1860/4885HSD17B10 2297/4885RIPK1 3784/4885
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E ALDH1A1 1860/4885HSD17B10 2297/4885RIPK1 3784/4885

“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.