SCHEMBL24312596

SCHEMBL24312596

CNCc1ccccc1-c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.50
▸ CASP6 P55212 1/20 0.47
▸ CYP1A2 P05177 6/20 0.45
▸ CYP2D6 P10635 5/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP3A4 P08684 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ IFNAR1 P17181 1/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39

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
SCHEMBL24352409 0.84 LTA4H (0.44) LTA4HCASP6CYP1A2CYP2D6MAPT
SCHEMBL24352628 0.82 CYP1A2 (0.48) LTA4HCYP1A2CYP2D6MAPTCYP3A4
SCHEMBL24352211 0.81 CASP6 (0.49) CASP6CYP1A2CYP2D6MAPTCYP3A4
SCHEMBL22910530 0.81 LTA4H (0.47) LTA4HCASP6CYP1A2MAPTALDH1A1
SCHEMBL24352318 0.80 CASP6 (0.44) CASP6CYP1A2CYP2D6MAPTCYP3A4
SCHEMBL24352624 0.78 CYP1A2 (0.47) LTA4HCYP1A2CYP2D6MAPTCYP3A4
SCHEMBL23082861 0.78 CYP2D6 (0.44) CASP6CYP1A2CYP2D6MAPTCYP3A4
SCHEMBL22910534 0.76 LTA4H (0.53) LTA4HIFNAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24352642 0.74 ADRA1A (0.45) LTA4HCYP1A2CYP2D6MAPTALDH1A1
SCHEMBL417693 0.74 LTA4H (0.55) LTA4HMAPTCYP3A4KDM4ESLC6A2

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-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 — — US disclosed
WO-2022081758-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-04-21 — — 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-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 LTA4H 3035/4885CASP6 2981/4885CYP1A2 107/4885

“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.

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