SCHEMBL1968541

SCHEMBL1968541

NNC(=S)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 1.00
GAA P10253 3/20 1.00
TAAR1 Q96RJ0 2/20 1.00
RAB9A P51151 5/20 0.78
NPC1 O15118 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
MAOA P21397 1/20 0.66
MAOB P27338 1/20 0.66
MEN1 O00255 5/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 4/20 0.60
ALOX12 P18054 3/20 0.60
MAPK1 P28482 3/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL6524477 0.88 RAB9A (1.00) LMNAGAATAAR1RAB9ANPC1
SCHEMBL6214594 0.83 GAA (0.71) LMNAGAATAAR1RAB9ANPC1
SCHEMBL11632322 0.81 RAB9A (0.78) LMNAGAATAAR1RAB9ANPC1
SCHEMBL525787 0.80 NPC1 (0.70) LMNAGAATAAR1RAB9ANPC1
SCHEMBL457957 0.80 GAA (1.00) LMNAGAATAAR1SMN1; SMN2MAOA
SCHEMBL159163 0.79 NPC1 (0.76) LMNAGAATAAR1RAB9ANPC1
SCHEMBL1520437 0.79 RAB9A (1.00) LMNAGAATAAR1RAB9ANPC1
SCHEMBL158616 0.79 RAB9A (0.81) LMNAGAATAAR1RAB9ANPC1
SCHEMBL9176170 0.78 NPC1 (0.68) LMNAGAATAAR1RAB9ANPC1
SCHEMBL4020005 0.78 NPC1 (0.68) LMNAGAATAAR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO claimed
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 US disclosed
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-08-18 US disclosed
US-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity HANGZHOU JENNIFER BIOTECH CO LTD (CN) 2021-04-13 US disclosed
WO-2020051707-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 WO disclosed
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
EP-2177521-A1 New 2-Amidothiadiazole Derivatives Almirall, S.A. (ES) 2010-04-21 EP disclosed
US-4871737-A 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-03 US disclosed
EP-0315433-A2 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A.H. ROBINS COMPANY, INCORPORATED (US) 1989-05-10 EP disclosed
US-4826866-A 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics A. H. ROBINS COMPANY, INCORPORATED (US) 1989-05-02 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 (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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 LMNA 4016/4885GAA 4329/4885TAAR1 135/4885
US-20220257569-A1 INDOLE-OXADIAZOLE COMPOUNDS AND THEIR THERAPEUTIC USE CNR2, GPR119, CNR1 LMNA 3813/4885GAA 2290/4885TAAR1 404/4885
US-10975048-B2 Composition of 1,3,4-selenadiazole containing compounds with pharmacological activity GPX4, GPX1, SELENOI LMNA 4607/4885GAA 4751/4885TAAR1 2912/4885

“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.