SCHEMBL4068672

SCHEMBL4068672

CC(C)c1ccccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
PARP1 P09874 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PDK2 Q15119 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 2/20 0.44
PRKCI P41743 1/20 0.44
BRD4 O60885 2/20 0.43
CREBBP Q92793 1/20 0.43
DHODH Q02127 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
LDHB P07195 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL10094322 0.86 KMO (0.56) FFAR1LMNAKMT2AAKR1C3AKR1C2
SCHEMBL26356060 0.86 AKR1C3 (0.47) BAZ2BBAZ2ACA12CA1CA2
SCHEMBL10094517 0.82 PARP1 (0.53) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL4067133 0.82 CA12 (0.57) PARP1CA12CA1CA2CA9
SCHEMBL23479668 0.82 PDK2 (0.49) PDK2FFAR1BRD4CREBBPLMNA
SCHEMBL10094352 0.82 KCNA5 (0.50) BAZ2BBAZ2APDK2FFAR1BRD4
SCHEMBL23479756 0.82 RAB9A (0.49) CA12CA1CA2CA9PDK2
SCHEMBL5307077 0.80 PARP1 (0.56) BAZ2BBAZ2APARP1PDK2NPC1
SCHEMBL4067125 0.79 GABRA1 (0.45) PARP1DHODHLMNAKMT2AAKR1C3
SCHEMBL30865718 0.79 TRPA1 (0.51) CA12CA1CA2CA9FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP claimed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO claimed
US-11773127-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2023-10-03 US disclosed
US-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 2021-06-10 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, MPO BAZ2B 1229/4885BAZ2A 1195/4885PARP1 2395/4885
US-11773127-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, MPO BAZ2B 1229/4885BAZ2A 1195/4885PARP1 2395/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 BAZ2B 1523/4885BAZ2A 1381/4885PARP1 2987/4885

“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.