SCHEMBL29050335

SCHEMBL29050335

COc1ccc2ncc(Cl)c(C(C)=O)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
KCNH2 Q12809 4/20 0.36
NNMT P40261 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HDAC3 O15379 1/20 0.35
APP P05067 1/20 0.35
ACHE P22303 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL29050321 0.89 POLB (0.42) ALDH1A1KCNH2NNMTPOLBTDP1
SCHEMBL2038295 0.87 NNMT (0.44) KCNH2NNMTPOLBTDP1PIK3CA
SCHEMBL3155020 0.84 SMN1; SMN2 (0.37) KCNH2HDAC3APPACHEHDAC1
SCHEMBL2766836 0.83 KCNH2 (0.35) HPGDALDH1A1KCNH2PIK3CAMTOR
SCHEMBL29050355 0.82 HPGD (0.47) HPGDGLAKCNH2
SCHEMBL31391928 0.82 HPGD (0.47) HPGDGLAKCNH2
SCHEMBL1075375 0.79 DYRK1A (0.36) HPGDALDH1A1KCNH2SMN1; SMN2HSD17B10
SCHEMBL29692824 0.79 KCNH2 (0.36) KCNH2
SCHEMBL2770307 0.79 KCNH2 (0.36) KCNH2
SCHEMBL28867703 0.79 PTPN11 (0.38) KCNH2

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
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-4247492-A1 MALT-1 MODULATORS Exscientia Al Limited (GB) 2023-09-27 EP disclosed
CN-116528857-A MALT-1 modulators 艾克斯赛安西娅人工智能有限公司 2023-08-01 CN disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 WO 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-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 HPGD 2714/4885ALDH1A1 2798/4885F2 4819/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 HPGD 3569/4885ALDH1A1 3054/4885F2 4686/4885

“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.