SCHEMBL21146833

SCHEMBL21146833

CC(C)c1ccc(COCc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
EGLN1 Q9GZT9 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALOX5 P09917 1/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MAOB P27338 1/20 0.40
NFE2L2 Q16236 1/20 0.39
CYP27B1 O15528 1/20 0.38
CYP24A1 Q07973 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2293769 0.88 IDO1 (0.68) IDO1EGLN1RXRARXRBALOX5
SCHEMBL492258 0.81 TSHR (0.52) KMT2ATSHR
SCHEMBL13756779 0.80 TSHR (0.62) IDO1EGLN1RXRARXRBALOX5
SCHEMBL9842310 0.80 TSHR (0.62) IDO1EGLN1RXRARXRBALOX5
Hydrochloric Acid SCHEMBL27794104 0.79 TSHR (0.50) KMT2ATSHR
SCHEMBL11541627 0.78 HRH1 (0.47) IDO1FLT1KDRHTR1DHTR1B
SCHEMBL8750539 0.78 IDO1 (0.61) IDO1EGLN1RXRARXRBALOX5
SCHEMBL22537715 0.78 RAB9A (0.46) FLT1KDRL3MBTL1MEN1NPC1
SCHEMBL14156900 0.78 IDO1 (0.50) IDO1L3MBTL1MEN1NPC1RAB9A
SCHEMBL20004502 0.78 KCNH2 (0.52) IDO1L3MBTL1NPC1RAB9AKMT2A

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-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-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 IDO1 1664/4885EGLN1 2394/4885RXRA 2936/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT IDO1 2265/4885EGLN1 2608/4885RXRA 3130/4885

“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.