SCHEMBL21536474

SCHEMBL21536474

O=Nc1cnn(Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ATM Q13315 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPBWR1 P48145 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
COMT P21964 1/20 0.38
RECQL P46063 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
SCHEMBL21535949 0.84 SCD5 (0.48) SCD5ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL21536595 0.83 SCD5 (0.46) SCD5ALDH1A1MAPTPKML3MBTL1
SCHEMBL21523663 0.78 ALDH1A1 (0.66) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL4792981 0.78 SCD5 (0.44) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL28760613 0.77 EPHX2 (0.51) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL4790930 0.76 ALDH1A1 (0.44) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL30482323 0.76 MAOB (0.49) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL21523820 0.76 ALDH1A1 (0.49) SCD5ADORA2AADORA2BADORA1TDP1
SCHEMBL27286280 0.76 MAOA (0.49) SCD5ADORA2AADORA2BADORA1TDP1
Hydrochloric Acid SCHEMBL21492002 0.75 MAOB (0.47) SCD5ADORA2AADORA2BADORA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 SCD5 1575/4885ADORA2A 687/4885ADORA2B 391/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SCD5 1575/4885ADORA2A 687/4885ADORA2B 391/4885

“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.