SCHEMBL20909345

SCHEMBL20909345

Cc1ccccc1N1CCOc2cc(C(=O)NO)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ TNF P01375 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ PTGER3 P43115 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL17957663 0.84 KMT2A (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17957700 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17960232 0.80 HDAC6 (0.47) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL17957521 0.79 HDAC6 (0.46) NPC1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL17957691 0.79 KDM4E (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17957754 0.79 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL17957753 0.79 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL17957583 0.78 HDAC6 (0.46) RAB9ANPC1SMN1; SMN2HDAC6HDAC1
SCHEMBL17960436 0.77 HDAC6 (0.48) SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL20912352 0.77 KCNQ2 (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-10421731-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-20190112282-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 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-20190112282-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 RAB9A 3532/4885NPC1 1803/4885SMN1; SMN2 1067/4885
US-10421731-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 RAB9A 3532/4885NPC1 1803/4885SMN1; SMN2 1067/4885

“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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