SCHEMBL20168330

SCHEMBL20168330

CNC(=O)OCc1ccc(Br)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
RAB9A P51151 5/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
GBA1 P04062 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL25302669 0.84 ALDH1A1 (0.43) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL1063890 0.82 ALDH1A1 (0.42) RAB9ANPC1MCHR1KDM4EALDH1A1
SCHEMBL29630882 0.82 ALDH1A1 (0.42) RAB9ANPC1MCHR1KDM4EALDH1A1
SCHEMBL13735188 0.79 MEN1 (0.39) RAB9ANPC1TSHR
SCHEMBL17674283 0.79 KDM4E (0.42) RAB9ANPC1LMNASMN1; SMN2MCHR1
SCHEMBL3662503 0.79 GLS (0.45) RAB9ANPC1LMNAKDM4EALDH1A1
SCHEMBL23756832 0.77 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL19948823 0.76 HDAC1 (0.43) HDAC1HDAC8HDAC6HDAC5RAB9A
SCHEMBL30094494 0.76 KDM4E (0.42) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL1524930 0.76 KDM4E (0.42) RAB9ANPC1KDM4EALDH1A1MAPT

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
US-20240101570-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC. 2024-03-28 US disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
EP-4251624-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS Amgen, Inc (US) 2023-10-04 EP disclosed
WO-2022115377-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC. (US) 2022-06-02 WO disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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 (3 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 HDAC1 162/4885HDAC8 453/4885HDAC6 960/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 HDAC1 162/4885HDAC8 453/4885HDAC6 960/4885
US-20240101570-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HDAC1 22/4885HDAC8 83/4885HDAC6 118/4885

“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.