SCHEMBL21711526

SCHEMBL21711526

NC(=O)c1ccc2c(c1)OC=CN=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LCK P06239 1/20 0.34
IP6K1 Q92551 1/20 0.33
AR P10275 1/20 0.33
TRPA1 O75762 1/20 0.33
PARP1 P09874 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
NNMT P40261 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
PARP15 Q460N3 2/20 0.31
PARP14 Q460N5 2/20 0.31
PARP10 Q53GL7 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL29501123 0.88 TSHR (0.42) TSHRLCKIP6K1ARPARP1
SCHEMBL25168063 0.84 PRSS1 (0.36)
SCHEMBL23610586 0.78 TSHR (0.46) TSHRLCKARTRPA1PARP1
SCHEMBL23610585 0.78 TSHR (0.46) TSHRLCKARTRPA1PARP1
SCHEMBL21711528 0.74 NNMT (0.34) TSHRSMN1; SMN2NNMT
SCHEMBL3642756 0.72 TSHR (0.58) TSHRLCKPARP1SMN1; SMN2NPC1
SCHEMBL29501144 0.72 PIM1 (0.34) NNMTALDH1A1KMT2A
SCHEMBL28939616 0.70 LCK (0.35) TSHRLCKARPARP1SMN1; SMN2
SCHEMBL244607 0.66 TRPA1 (0.41) TRPA1
SCHEMBL7410015 0.66 TRPA1 (0.50) TSHRTRPA1PARP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426285-A1 HISTONE DEACETYLASE 6 INHIBITOR COMPOUNDS AND USES THEREOF Valo Health, Inc. (US) 2024-09-11 EP disclosed
WO-2023081328-A1 HISTONE DEACETYLASE 6 INHIBITOR COMPOUNDS AND USES THEREOF VALO HEALTH, INC. (US) 2023-05-11 WO disclosed
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2020-02-20 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 (4 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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TSHR 2744/4885LCK 1076/4885IP6K1 3416/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TSHR 2744/4885LCK 1076/4885IP6K1 3416/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TSHR 2744/4885LCK 1076/4885IP6K1 3416/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TSHR 2744/4885LCK 1076/4885IP6K1 3416/4885

“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.