SCHEMBL788729

SCHEMBL788729

NC(=S)Nc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 1.00
ALDH1A1 P00352 8/20 0.74
MAPT P10636 7/20 0.74
GAA P10253 3/20 0.74
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
MEN1 O00255 2/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.60
EGFR P00533 1/20 0.59
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57

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
SCHEMBL788995 0.89 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL24477522 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL1185255 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL1383868 0.82 NPC1 (0.74) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL9460006 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL107421 0.78 RAB9A (1.00) SMN1; SMN2ALDH1A1MAPTRAB9ANPC1
SCHEMBL179084 0.78 NPC1 (0.79) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL4107771 0.77 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL27666186 0.76 NPC1 (0.77) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL4647917 0.76 NPC1 (0.77) SMN1; SMN2ALDH1A1MAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249702-B N-aryl- [2,4 '-dithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2023-09-05 CN disclosed
US-20230263167-A1 METHOD OF PREPARING A BISMUTH SULFIDE PARTICLE CONTAINING ANTIBACTERIAL COMPOSITION IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-08-24 US disclosed
US-11700855-B2 Method for preventing or reducing growth of a microorganism on a surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-07-18 US disclosed
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed
US-20210061670-A1 METHOD FOR PREVENTING OR REDUCING GROWTH OF A MICROORGANISM ON A SURFACE IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2021-03-04 US disclosed
US-10934176-B2 Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2021-03-02 US disclosed
US-20200102228-A1 METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2020-04-02 US disclosed
US-10105687-B1 Heterostructured Bi2S3—ZnS photocatalysts and methods thereof IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2018-10-23 US disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 US disclosed
WO-2002051410-A2 PHENYLTHIAZOLE AND THIAZOLINE DERIVATIVES AND THEIR USE AS ANTIPARASITICS AKZO NOBEL N.V. (NL) 2002-07-04 WO disclosed
CN-1039415-C Heterocyclic compounds ZENECA LTD (GB) 1998-08-05 CN disclosed
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 CN disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
WO-1994006783-A1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 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 (1 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-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 SMN1; SMN2 687/4885ALDH1A1 2224/4885MAPT 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.