SCHEMBL24352277

SCHEMBL24352277

CNCc1ccccc1-c1cccnn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.45
▸ CASP6 P55212 1/20 0.41
▸ PDE9A O76083 1/20 0.40
▸ HTR2C P28335 5/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ HTR2B P41595 1/20 0.33
▸ IFNAR1 P17181 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPA Q5VT25 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL24352736 0.85 CASP6 (0.42) CASP6PDE9AHTR2CHTR2AHTR2B
SCHEMBL24352816 0.83 CASP6 (0.39) CASP6PDE9AHTR2CHTR2AHTR2B
SCHEMBL22910530 0.79 LTA4H (0.47) LTA4HCASP6PDE9AKDM4EMAPT
SCHEMBL28680308 0.78 HTR2C (0.40) CASP6PDE9AHTR2CHTR2AHTR2B
SCHEMBL24352663 0.77 DPP4 (0.47) CASP6PDE9AHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL29473282 0.76 DPP4 (0.46) CASP6PDE9AHTR2CHTR2AHTR2B
SCHEMBL24352409 0.75 LTA4H (0.44) LTA4HCASP6SLC6A4SLC6A2SLC6A3
SCHEMBL31019977 0.75 LTA4H (0.44) LTA4HHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL24352491 0.75 CASP6 (0.41) CASP6HTR2CHTR2AHTR2BKDM4E
SCHEMBL24352771 0.74 KCNA5 (0.51) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 — — 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-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 LTA4H 3035/4885CASP6 2981/4885PDE9A 614/4885

“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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