SCHEMBL22797130

SCHEMBL22797130

Cc1ccc(C#Cc2ccc(/C(N)=C/C=N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ GRM5 P41594 2/20 0.38
▸ VCP P55072 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ PKM P14618 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NLRP1 Q9C000 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL24288500 0.89 ALDH1A1 (0.40) ALDH1A1PKMHTTATMNPSR1
SCHEMBL22797133 0.80 — —
SCHEMBL19983766 0.71 ALDH1A1 (0.46) ALDH1A1PKMHTTATMNPSR1
SCHEMBL14980676 0.70 RECQL (0.52) CA2CA1ALDH1A1SMN1; SMN2NQO2
SCHEMBL10151288 0.70 CES2 (0.39) CA2CA1NQO2CES2CES1
SCHEMBL4457730 0.69 GRM5 (0.64) CA12CA2CA9CA1GRM5
SCHEMBL9445826 0.69 GRM5 (0.64) CA12CA2CA9CA1GRM5
SCHEMBL4535484 0.69 F2 (0.48) CA12CA2CA9CA1ALDH1A1
SCHEMBL16922640 0.69 ALDH1A1 (0.43) ALDH1A1PKMHTTATMNPSR1
SCHEMBL14330666 0.68 ALDH1A1 (0.43) ALDH1A1PKMHTTATMNPSR1

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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 — — 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-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 CA12 2988/4885CA2 2864/4885CA9 562/4885

“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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