SCHEMBL14907699

SCHEMBL14907699

O=C(O)c1c(C(F)(F)F)ccnc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SORT1 Q99523 1/20 0.36
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2C Q14957 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
DAO P14920 1/20 0.34
CNR2 P34972 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
TYK2 P29597 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL28182603 0.84 KMT2A (0.38) KMOKDM4EALDH1A1HTTHSD17B10
SCHEMBL1699267 0.80 NAPRT (0.43) KMOKDM4EASPHKDM8HTT
SCHEMBL15880100 0.79 HSD17B10 (0.43) KMOKDM4EALDH1A1ASPHKDM8
SCHEMBL30613704 0.79 KMO (0.43) KMOKDM4ESMN1; SMN2ASPHKDM8
SCHEMBL148901 0.79 AAK1 (0.44) KMOKDM4EASPHKDM8HTT
SCHEMBL3540937 0.79 KMO (0.43) KMOKDM4ESMN1; SMN2ASPHKDM8
SCHEMBL27945025 0.75 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL23012638 0.75 SLC22A12 (0.39) KMOASPHSORT1
SCHEMBL10884107 0.75 TRPV1 (0.46) KMOHTTHSD17B10CNR2
SCHEMBL31214548 0.75 MAPT (0.40) KMOKDM4EALDH1A1SMN1; SMN2ASPH

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
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
US-8987274-B2 Macrocycles that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP (US) 2015-03-24 US disclosed
US-8987274-B2 Macrocycles that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP (US) 2015-03-24 US disclosed
US-20140315916-A1 MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
US-20140315916-A1 MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
WO-2013062923-A1 MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (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-20140315916-A1 MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 KMO 3807/4885KDM4E 2192/4885ALDH1A1 3320/4885

“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.