SCHEMBL6468984

SCHEMBL6468984

Brc1ccc(-c2csnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
KMT2A Q03164 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 3/20 0.64
POLB P06746 2/20 0.64
NOTUM Q6P988 1/20 0.64
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.50
PKM P14618 2/20 0.46
MAPT P10636 4/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
MDM2 Q00987 1/20 0.45

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
SCHEMBL19900671 0.89 KMT2A (0.78) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL1260494 0.78 KMT2A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL28615396 0.78 KMT2A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL28576782 0.78 RAB9A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL1673852 0.78 KMT2A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL6153838 0.78 KMT2A (1.00) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL118567 0.78 KMT2A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL2682787 0.78 KMT2A (1.00) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL558024 0.78 KMT2A (0.64) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL219769 0.78 KMT2A (0.58) RAB9AKMT2ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307781-B Synthesis method of 1,2, 3-thiadiazole derivative 新疆大学 2024-07-02 CN disclosed
CN-114573485-B Method for synthesizing alkynyl alkyl sulfide 华南理工大学 2023-11-10 CN disclosed
CN-114573485-A Method for synthesizing alkynyl alkyl thioether 华南理工大学 2022-06-03 CN disclosed
CN-112778067-B Method for synthesizing thioamide compound by catalyzing 1,2, 3-thiadiazole compound and amine with copper 华南理工大学 2022-05-24 CN disclosed
CN-113307781-A Synthetic method of 1,2,3-thiadiazole derivative 新疆大学 2021-08-27 CN disclosed
CN-112778067-A Method for synthesizing thioamide compound by using copper to catalyze 1,2, 3-thiodiazole compound and amine 华南理工大学 2021-05-11 CN disclosed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 RAB9A 3435/4885KMT2A 4610/4885NPC1 1178/4885

“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.