SCHEMBL19988478

SCHEMBL19988478

C[S+]([O-])c1ccccc1-c1cc2[nH]c3ccncc3c2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.46
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
SCHEMBL19988698 0.90 CHUK (0.46) ACHECDK4CCND1KDM4EALDH1A1
SCHEMBL19988480 0.82 MAPT (0.39) ACHECDK4CCND1KDM4EALDH1A1
SCHEMBL21155828 0.81 GABRA1 (0.37) CDK4CCND1AURKAGABRA1GABRG2
SCHEMBL19988473 0.78 GABRA1 (0.42) CDK4CCND1KDM4EGABRPGABRD
SCHEMBL19988602 0.78 ACHE (0.48) ACHECDK4CCND1KDM4EALDH1A1
SCHEMBL19988470 0.76 ACHE (0.46) ACHECDK4CCND1KDM4EALDH1A1
SCHEMBL19988474 0.75 GABRA1 (0.41) CDK4CCND1KDM4EGABRPGABRD
SCHEMBL19988781 0.74 KDM4E (0.41) CDK4CCND1KDM4EALDH1A1GABRA1
SCHEMBL19988778 0.73 KDM4E (0.43) CDK4CCND1KDM4EGABRPGABRD
SCHEMBL19988466 0.73 KDM4E (0.44) ACHEKDM4EALDH1A1HPGDGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 — — EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 — — US disclosed
WO-2018050583-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 — — 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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 ACHE 1426/4885CDK4 1097/4885CCND1 2872/4885

“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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