SCHEMBL21383969

SCHEMBL21383969

Nc1ncc(C(O)c2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
KDM4E B2RXH2 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
IGFBP3 P17936 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER3 P43115 1/20 0.35
CSNK2A1 P68400 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL29442819 1.00 IDO1 (0.42) IDO1TDO2KDM4ECES2CES1
SCHEMBL21383976 0.84 KDM4E (0.38) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL21383929 0.80 IDO1 (0.42) IDO1TDO2KDM4EMEN1MAPT
SCHEMBL21384058 0.75 CCNE1 (0.43) CES2CES1IGFBP3HDAC4HDAC7
SCHEMBL227352 0.74 CES2 (0.55) IDO1TDO2CES2CES1IGFBP3
SCHEMBL5025177 0.73 SMN1; SMN2 (0.46) KDM4EMEN1KMT2A
SCHEMBL18623174 0.73 CA1 (0.49) IDO1TDO2KDM4ECES2CES1
SCHEMBL753519 0.72 CES2 (0.44) IDO1TDO2CES2CES1IGFBP3
SCHEMBL14207655 0.72 CES2 (0.41) IDO1TDO2CES2CES1IGFBP3
SCHEMBL29393032 0.71 KDM4E (0.54) IDO1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 IDO1 2690/4885TDO2 3963/4885KDM4E 1073/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 IDO1 2876/4885TDO2 3592/4885KDM4E 2853/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 IDO1 2876/4885TDO2 3592/4885KDM4E 2853/4885

“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.