SCHEMBL20912072

SCHEMBL20912072

O=C(NO)c1ccc2c(c1)OCCN(c1cccc(F)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.48
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ MAOB P27338 2/20 0.46
▸ NAMPT P43490 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HDAC11 Q96DB2 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NFKB1 P19838 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
SCHEMBL20912352 0.88 KCNQ2 (0.51) KCNQ2HDAC6NPC1RAB9AMAOB
SCHEMBL17957663 0.88 KMT2A (0.44) KCNQ2HDAC1HDAC6NPC1RAB9A
SCHEMBL17957861 0.82 HDAC1 (0.49) KCNQ2HDAC1HDAC6NPC1RAB9A
SCHEMBL17957684 0.81 MAOB (0.45) KCNQ2HDAC1HDAC6NPC1RAB9A
SCHEMBL17957676 0.81 MAPT (0.45) KCNQ2HDAC1HDAC6NPC1RAB9A
SCHEMBL17957700 0.81 NPC1 (0.47) KCNQ2HDAC1HDAC6NPC1RAB9A
SCHEMBL17959009 0.81 HDAC6 (0.47) HDAC1HDAC6NPC1RAB9AMAOB
SCHEMBL20912073 0.78 HDAC6 (0.43) HDAC1HDAC6NPC1RAB9AMAOB
SCHEMBL17957578 0.78 HDAC6 (0.43) HDAC1HDAC6NPC1RAB9AMAOB
SCHEMBL17957576 0.78 HDAC6 (0.43) HDAC1HDAC6NPC1RAB9AMAOB

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-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-01 — — US disclosed
US-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 — — 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-20190112280-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 KCNQ2 2936/4885HDAC1 1/4885HDAC6 7/4885
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 KCNQ2 2936/4885HDAC1 1/4885HDAC6 7/4885

“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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