SCHEMBL21355211

SCHEMBL21355211

C/C=C\c1ccc(NC(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GCK P35557 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ DEGS1 O15121 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ P4HTM Q9NXG6 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
SCHEMBL21355214 1.00 RAB9A (0.46) RAB9AMAPTKDM4ELMNAGCK
SCHEMBL2911125 0.81 RAB9A (0.46) RAB9AMAPTKDM4ELMNASMN1; SMN2
SCHEMBL21375791 0.79 HDAC1 (0.41) RAB9AMAPTKDM4ELMNAGCK
SCHEMBL29636747 0.79 HDAC1 (0.41) RAB9AMAPTKDM4ELMNAGCK
SCHEMBL28579578 0.79 HDAC1 (0.41) RAB9AMAPTKDM4ELMNAGCK
SCHEMBL2636192 0.74 RAB9A (0.78) RAB9AMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4391108 0.74 GCK (0.57) RAB9AKDM4ELMNAGCKSMN1; SMN2
SCHEMBL4391105 0.74 GCK (0.57) RAB9AKDM4ELMNAGCKSMN1; SMN2
SCHEMBL11466907 0.74 DEGS1 (0.56) RAB9AMAPTSMN1; SMN2NPC1DEGS1
SCHEMBL12678598 0.73 KDM4E (0.38) MAPTKDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 — — WO disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 — — EP disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 — — US disclosed
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 — — US disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 — — US disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 — — 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 (5 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 RAB9A 3451/4885MAPT 2953/4885KDM4E 738/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885MAPT 2953/4885KDM4E 738/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 RAB9A 3451/4885MAPT 2953/4885KDM4E 738/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885MAPT 2953/4885KDM4E 738/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 RAB9A 3451/4885MAPT 2953/4885KDM4E 738/4885

“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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