SCHEMBL823829

SCHEMBL823829

NC(N)=Nc1nc(CC(=O)NCc2ccccc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
EGLN1 Q9GZT9 2/20 0.54
HPGD P15428 3/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.46
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
POLB P06746 1/20 0.44
PRSS1 P07477 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
Hydrochloric Acid SCHEMBL827361 0.87 SMN1; SMN2 (0.48) ALDH1A1GAAEGLN1HPGDLMNA
Hydrochloric Acid SCHEMBL825845 0.82 ALDH1A1 (0.47) ALDH1A1GAAHPGDLMNACYP1A2
Hydrochloric Acid SCHEMBL826687 0.81 MEN1 (0.56) ALDH1A1GAALMNACYP1A2CYP2D6
SCHEMBL5875862 0.81 ALDH1A1 (0.58) ALDH1A1GAAEGLN1HPGDTSHR
SCHEMBL5875866 0.81 ALDH1A1 (0.60) ALDH1A1GAAEGLN1HPGDTSHR
Hydrochloric Acid SCHEMBL827101 0.76 TSHR (0.53) ALDH1A1GAAHPGDTSHRLMNA
SCHEMBL11251592 0.76 CYP1A2 (0.46) TSHRLMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL827558 0.76 SMN1; SMN2 (0.46) ALDH1A1HPGDTSHRCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL826873 0.75 MEN1 (0.51) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL11235244 0.74 HRH2 (0.53) TSHRLMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143296-B2 Thiazole-based compound and inhibitor of T-type calcium channel containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-15 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-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME CACNA1G, CACNA1I, CACNA1H ALDH1A1 4316/4885GAA 2546/4885EGLN1 3842/4885

“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.