SCHEMBL3777362

SCHEMBL3777362

COC(=O)c1cccc(OCC(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.40
UGCG Q16739 1/20 0.40
HPD P32754 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2143230 0.87 HPD (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AHPD
SCHEMBL26401595 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL30402800 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL26401575 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7683481 0.83 KCNK3 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL24478646 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL30516693 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL2521491 0.82 HPGD (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL28029191 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10499645 0.81 SLC6A3 (0.54) ALDH1A1CYP1A2CYP2C9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925100-A Substituted thiophenoquinolinone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-10-24 CN disclosed
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (1 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B ALDH1A1 3989/4885CYP1A2 939/4885CYP2C9 2428/4885

“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.