SCHEMBL934145

SCHEMBL934145

CCC(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
LSS P48449 1/20 0.56
P2RX7 Q99572 2/20 0.56
MTOR P42345 1/20 0.54
EPHX2 P34913 2/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL30794012 0.87 MAOB (0.61) PPARGPPARAALDH1A1TP53MAPK14
SCHEMBL3641862 0.87 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL12993441 0.84 EPHX2 (0.59) HDAC3HDAC8HDAC6EPHX2NPC1
SCHEMBL934422 0.84 HPGD (0.70) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL13361545 0.83 LTA4H (0.58) HDAC1HDAC8EPHX2
SCHEMBL10594986 0.83 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL2629356 0.82 LSS (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL23135789 0.82 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL31023531 0.82 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL24575984 0.82 MTOR (0.69) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561801-A Benzo [ d ] [1,3] dioxoles compound, preparation method and application thereof 上海医药集团股份有限公司 2024-08-30 CN disclosed
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 US disclosed
US-8809280-B2 Therapeutic peptides LYTIX BIOPHARMA AS (NO) 2014-08-19 US disclosed
US-20130035296-A1 THERAPEUTIC PEPTIDES LYTIX BIOPHARMA AS (NO) 2013-02-07 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-5698552-A EXHIBIT PLATELET ACTIVATING FACTOR-ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM KG (DE) 1997-12-16 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-20130035296-A1 THERAPEUTIC PEPTIDES VIP, LNPEP, ANPEP HDAC3 3627/4885HDAC1 3756/4885HDAC2 3686/4885
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX HDAC3 1783/4885HDAC1 1020/4885HDAC2 698/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HDAC3 1783/4885HDAC1 1020/4885HDAC2 698/4885

“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.