SCHEMBL11114934

SCHEMBL11114934

Cc1ccc(C)c(Br)c1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ACHE P22303 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4623500 0.83 ACHE (0.36) ALDH1A1ACHEHDAC1HDAC6HDAC3
SCHEMBL16915208 0.83 ACHE (0.36) ALDH1A1ACHEHDAC1HDAC6CYP1A2
SCHEMBL8761106 0.83 ALDH1A1 (0.36) ALDH1A1ACHEHDAC1HDAC6HDAC3
SCHEMBL31331585 0.79 TP53 (0.36) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL22864465 0.79
SCHEMBL22162367 0.79 HTR2A (0.35)
SCHEMBL31483105 0.79 HTR2A (0.35)
SCHEMBL31483102 0.79 HTR2A (0.35)
SCHEMBL16334112 0.79 TP53 (0.36) ALDH1A1HDAC1HDAC6HDAC3HDAC4
SCHEMBL819186 0.77 ALDH1A1 (0.42) ALDH1A1ACHELMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2010-01-28 US disclosed
EP-0113185-A1 Selective bromination process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-11 EP 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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 ALDH1A1 3740/4885ACHE 4818/4885HDAC1 447/4885
US-20100022542-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM THPO, MPL, TEK ALDH1A1 1545/4885ACHE 3649/4885HDAC1 1868/4885

“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.