SCHEMBL30138440

SCHEMBL30138440

O=C(O)c1ccc2c(c1)ncn2CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
FGFR1 P11362 1/20 0.57
HDAC1 Q13547 2/20 0.57
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
F10 P00742 1/20 0.51
PLA2G4A P47712 1/20 0.51
HCAR3 P49019 2/20 0.50
CNOT7 Q9UIV1 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
EHMT2 Q96KQ7 1/20 0.48
EHMT1 Q9H9B1 1/20 0.48

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
SCHEMBL31183038 0.83 HCAR3 (0.55) FGFR1HDAC1ALDH1A1LMNAHPGD
SCHEMBL2943641 0.83 HDAC1 (0.53) HTTKMT2APKMFGFR1HDAC1
SCHEMBL3436680 0.82 HCAR3 (0.58) FGFR1HDAC1ALDH1A1LMNAHPGD
SCHEMBL30138443 0.82 HCAR3 (0.58) FGFR1HDAC1ALDH1A1LMNAHPGD
SCHEMBL3816420 0.82 HCAR3 (0.54) FGFR1ALDH1A1LMNAHPGDF10
SCHEMBL30930540 0.80 HPGD (0.68) FGFR1ALDH1A1LMNAHPGDPLA2G4A
SCHEMBL16148812 0.79 HTT (0.60) HTTKMT2APKMHDAC1F10
SCHEMBL708855 0.79 HTT (0.68) HTTKMT2APKMHDAC1CNOT7
SCHEMBL2996553 0.79 HCAR3 (0.60) FGFR1HDAC1ALDH1A1LMNAHPGD
SCHEMBL31159882 0.79 HCAR3 (0.56) FGFR1ALDH1A1LMNAHPGDF10

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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 HTT 2343/4885KMT2A 4102/4885PKM 658/4885

“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.