SCHEMBL1493432

SCHEMBL1493432

Cc1ccc(F)cc1-n1nnnc1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
KCNN4 O15554 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR7 P34969 3/20 0.34
PTGS2 P35354 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1493503 0.83 ALDH1A1 (0.54) ALDH1A1LMNATSHRHTTTP53
SCHEMBL1493411 0.80 NPC1 (0.46) ALDH1A1HTTKCNN4NPC1RAB9A
SCHEMBL11638648 0.76 ALDH1A1 (0.62) ALDH1A1LMNATSHRHTTTP53
SCHEMBL1493387 0.74 ALDH1A1 (0.39) ALDH1A1LMNATSHRHTTTP53
SCHEMBL1493447 0.74 L3MBTL1 (0.39) ALDH1A1LMNATSHRHTTTP53
SCHEMBL5592603 0.73 LMNA (0.48) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8048128 0.72 ALDH1A1 (0.49) ALDH1A1LMNATSHRHTTGAA
SCHEMBL1493508 0.71 KCNN4 (0.44) ALDH1A1TSHRKCNN4
SCHEMBL1493484 0.70 ALDH1A1 (0.48) ALDH1A1LMNATSHRHTTKCNN4
SCHEMBL1493427 0.70 POLB (0.47) ALDH1A1LMNAHTTTP53RAB9A

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885LMNA 4145/4885TSHR 44/4885

“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.