SCHEMBL21115280

SCHEMBL21115280

C#Cc1ccc(COCc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
TSHR P16473 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 1/20 0.34
F2 P00734 1/20 0.34
MAOB P27338 1/20 0.34
GRIN2B Q13224 1/20 0.34
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
GHSR Q92847 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
SCHEMBL29089308 0.88 TSHR (0.46) HDAC8TSHRALDH1A1FFAR1MAOB
SCHEMBL430063 0.83 HDAC8 (0.54) HDAC8CYP1A2CYP2C19F2MAOB
SCHEMBL492258 0.81 TSHR (0.52) TSHRLOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL29566267 0.80 TSHR (0.62) TSHRCYP1A2CYP2C9CYP2C19MAOB
Hydrochloric Acid SCHEMBL27794104 0.79 TSHR (0.50) TSHRLOXL2ALDH1A1CYP1A2CYP3A4
SCHEMBL25279150 0.77 HDAC8 (0.56) HDAC8ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3016789 0.76 HDAC8 (0.35) HDAC8TSHRALDH1A1
SCHEMBL25042291 0.76 LOXL2 (0.38) HDAC8TSHRLOXL2ALDH1A1CYP1A2
SCHEMBL14156900 0.74 IDO1 (0.50) SMN1; SMN2KMT2A
SCHEMBL22537715 0.74 RAB9A (0.46) TSHRLOXL2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT HDAC8 4381/4885TSHR 4748/4885LOXL2 2959/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT HDAC8 4418/4885TSHR 4738/4885LOXL2 2860/4885

“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.