SCHEMBL21507574

SCHEMBL21507574

COc1ccc2cc(Cc3cccc(N)c3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LTA4H P09960 2/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ PTGS1 P23219 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CYP17A1 P05093 1/20 0.47
▸ DHFR P00374 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45

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
SCHEMBL29067123 0.88 LTA4H (0.63) CYP3A4ALDH1A1LTA4HMAOBLMNA
SCHEMBL22746281 0.85 ALDH1A1 (0.66) CYP3A4ALDH1A1LTA4HDHFRMAOB
SCHEMBL9177757 0.78 ALDH1A1 (0.51) CYP3A4ALDH1A1DHFRMAPTCYP19A1
SCHEMBL7004918 0.78 CYP19A1 (0.67) CYP3A4ALDH1A1LTA4HMAOBMAOA
SCHEMBL8136072 0.78 TAAR1 (0.61) CYP3A4ALDH1A1LTA4HDHFRMAOB
SCHEMBL29067121 0.77 CA2 (0.69) CYP3A4ALDH1A1LTA4HCYP1A2DHFR
SCHEMBL3482569 0.76 CA1 (0.62) CYP3A4ALDH1A1CYP17A1MAOBKDM4E
SCHEMBL29569802 0.76 CA1 (0.62) CYP3A4ALDH1A1CYP17A1MAOBKDM4E
SCHEMBL9719373 0.76 CA1 (0.62) CYP3A4ALDH1A1CYP17A1MAOBKDM4E
SCHEMBL30324526 0.76 CA1 (0.62) CYP3A4ALDH1A1CYP17A1MAOBKDM4E

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-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 — — 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-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 CYP3A4 1447/4885ALDH1A1 1065/4885LTA4H 452/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 CYP3A4 1447/4885ALDH1A1 1065/4885LTA4H 452/4885

“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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