SCHEMBL1021253

SCHEMBL1021253

CCC(CN)Nc1nc(Cc2ccc(OC)cc2)ns1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
HTR6 P50406 1/20 0.37
LTA4H P09960 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL1021152 0.91 TAS1R3 (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1021362 0.91 MAPT (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1021452 0.86 CNR1 (0.33) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL1019518 0.86 NPC1 (0.42) NPC1ALDH1A1TAS1R3TAS1R1HTR6
SCHEMBL1021489 0.85 ALDH1A1 (0.36) MAPTSMN1; SMN2NPC1ALDH1A1HTR6
SCHEMBL1020733 0.85 NPC1 (0.38) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1020398 0.81 MAPT (0.40) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1019458 0.80 MAPT (0.43) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL1024070 0.79 HTR6 (0.39) MAPTALDH1A1ATMHTR6LTA4H
SCHEMBL1021254 0.79 LMNA (0.40) MAPTLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP MAPT 4/4885LMNA 1913/4885SMN1; SMN2 8/4885

“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.