SCHEMBL20116299

SCHEMBL20116299

Cc1nn(C)c2cc(-c3noc(N4CCNCC4)n3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KHK P50053 7/20 0.45
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.38
SCD5 Q86SK9 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.35
ALOX5AP P20292 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
SCHEMBL30506296 1.00 KHK (0.45) KHKMAPTGAATHRBSCD5
SCHEMBL26998386 0.89 MAPT (0.41) MAPTGAATHRBSCD5NPC1
SCHEMBL20676409 0.89 MAPT (0.43) KHKMAPTGAATHRBSCD5
SCHEMBL22358307 0.83 MAPT (0.47) MAPTGAATHRBSCD5NPC1
SCHEMBL22358167 0.81 MAPT (0.45) MAPTGAATHRBSCD5NPC1
SCHEMBL22358165 0.81 MAPT (0.38) MAPTGAATHRBSCD5NPC1
SCHEMBL22357796 0.80 SCD5 (0.45) MAPTSCD5NPC1LMNAHTT
SCHEMBL20116487 0.79 NR1H4 (0.57) SCD5NPC1LMNAHTT
SCHEMBL30506333 0.79 NR1H4 (0.57) SCD5NPC1LMNAHTT
SCHEMBL20116369 0.79 NR1H4 (0.42) GAASCD5NPC1LMNAHTT

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KHK 3414/4885MAPT 22/4885GAA 67/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KHK 3414/4885MAPT 22/4885GAA 67/4885

“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.