SCHEMBL3721048

SCHEMBL3721048

Cc1ccc(-c2nncs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 3/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SREBF2 Q12772 1/20 0.42
NOTUM Q6P988 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
IDO1 P14902 1/20 0.36
LTA4H P09960 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 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
SCHEMBL10162230 0.79 NPC1 (0.45) SMN1; SMN2LMNAPOLBRAB9ANPC1
SCHEMBL7566383 0.78 KDM4E (0.42) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL7146697 0.78 FBP1 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL15739862 0.78 RAB9A (0.42) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL9435348 0.78 GAA (0.47) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL11238301 0.78 PDPK1 (0.42) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL28491322 0.78 NOTUM (0.41) ALDH1A1LMNARAB9ANPC1NOTUM
SCHEMBL12925903 0.78 RAB9A (0.51) ALDH1A1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL30441982 0.78 NOTUM (0.41) ALDH1A1LMNARAB9ANPC1NOTUM
SCHEMBL28156677 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2POLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231657-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS Abbott Laboratories (US) 2010-09-29 EP claimed
WO-2009067579-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS ABBOTT LABORATORIES (US) 2009-05-28 WO claimed
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US disclosed
CN-111995620-B Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2023-06-06 CN disclosed
CN-111995620-A Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2020-11-27 CN disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 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 (2 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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 ALDH1A1 987/4885SMN1; SMN2 1142/4885LMNA 1585/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A ALDH1A1 3217/4885SMN1; SMN2 1070/4885LMNA 99/4885

“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.