SCHEMBL29501126

SCHEMBL29501126

CC[C@@H](CO)NCc1ccc(C(=O)OC)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ P4HB P07237 1/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK10 P53779 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
SCHEMBL28601921 1.00 TDP1 (0.46) TDP1P4HBNOTUMKDM4EKMT2A
SCHEMBL17973666 1.00 TDP1 (0.46) TDP1P4HBNOTUMKDM4EKMT2A
SCHEMBL28594301 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL29501152 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL29990765 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL17991533 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL17973668 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL29501148 0.89 P4HB (0.45) TDP1P4HBNOTUMKDM4EALDH1A1
SCHEMBL17958015 0.87 TDP1 (0.45) TDP1KDM4EALDH1A1LMNAMAPT
SCHEMBL17958016 0.87 TDP1 (0.45) TDP1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 — — US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 — — US disclosed
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 — — 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 (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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 666/4885P4HB 2483/4885NOTUM 4174/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885P4HB 2503/4885NOTUM 4388/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885P4HB 2503/4885NOTUM 4388/4885

“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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