SCHEMBL29919790

SCHEMBL29919790

COc1ccc2[nH]cnc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.73
QPCT Q16769 5/20 0.49
ALDH1A1 P00352 5/20 0.49
GFER P55789 3/20 0.49
MAPT P10636 3/20 0.49
PRNP P04156 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NQO2 P16083 1/20 0.44
HPGD P15428 2/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL225931 1.00 MMP12 (0.73) MMP12QPCTALDH1A1GFERMAPT
SCHEMBL29424791 0.85 MMP12 (1.00) MMP12QPCTALDH1A1MAPTKMT2A
SCHEMBL225932 0.85 MMP12 (1.00) MMP12QPCTALDH1A1MAPTKMT2A
SCHEMBL14669369 0.83 MMP12 (0.52) MMP12QPCTALDH1A1MAPTKMT2A
SCHEMBL2096521 0.82 MMP12 (0.55) MMP12QPCTALDH1A1HSD17B10TSHR
SCHEMBL3162533 0.81 MMP12 (0.50) MMP12ALDH1A1MAPTKMT2AKDM4E
SCHEMBL20627761 0.81 MMP12 (0.50) MMP12QPCTALDH1A1MAPTKMT2A
Benzimidazole SCHEMBL15413095 0.81 MMP12 (0.84) MMP12QPCTALDH1A1KMT2AKDM4E
SCHEMBL30799777 0.81 KMT2A (0.54) MMP12QPCTALDH1A1GFERMAPT
SCHEMBL31268915 0.80 MMP12 (0.49) MMP12QPCTALDH1A1MAPTKMT2A

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-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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 (2 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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 MMP12 4276/4885QPCT 2706/4885ALDH1A1 72/4885
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 MMP12 1903/4885QPCT 4707/4885ALDH1A1 4284/4885

“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.