SCHEMBL20096735

SCHEMBL20096735

O=C(O)c1cccc(Nc2nc3ncccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
RHOA P61586 1/20 0.50
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
PRKCA P17252 1/20 0.47
GALK1 P51570 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL20096724 0.88 HDAC6 (0.61) GAASMN1; SMN2NPC1RAB9AHDAC7
SCHEMBL20096734 0.87 ROCK1 (0.52) GAASMN1; SMN2NPC1RAB9AABL1
SCHEMBL11380131 0.81 NPC1 (0.66) GAASMN1; SMN2NPC1RAB9ARHOA
SCHEMBL3948210 0.80 KDM4E (0.53) GAASMN1; SMN2NPC1RAB9AABL1
SCHEMBL219613 0.75 SMN1; SMN2 (0.69) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL22382514 0.75 HDAC6 (0.47) CSNK2A2CSNK2BGALK1HDAC8HDAC6
SCHEMBL6798215 0.72 CDC25B (0.57) GAANPC1RAB9ARHOACSNK2A2
SCHEMBL26135613 0.70 RHOA (0.93) NPC1RAB9ARHOAABL1BCR
SCHEMBL30633056 0.70 RHOA (0.93) NPC1RAB9ARHOAABL1BCR
SCHEMBL2624597 0.70 SMN1; SMN2 (0.58) GAASMN1; SMN2NPC1RAB9AKMT2A

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
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 US disclosed
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 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 (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-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 GAA 181/4885SMN1; SMN2 2097/4885NPC1 460/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 GAA 181/4885SMN1; SMN2 2097/4885NPC1 460/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 GAA 181/4885SMN1; SMN2 2097/4885NPC1 460/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 GAA 181/4885SMN1; SMN2 2097/4885NPC1 460/4885

“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.