SCHEMBL21095771

SCHEMBL21095771

CC(C)c1ccc(-c2nnc(C(F)(F)F)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.51
NOTUM Q6P988 3/20 0.47
PTPN5 P54829 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
DGAT1 O75907 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL19356289 0.85 NOTUM (0.49) HDAC6NOTUMNPC1RAB9ADGAT1
SCHEMBL23140211 0.82 NOTUM (0.46) HDAC6NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL22116919 0.81 NPC1 (0.56) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL22116888 0.81 NPC1 (0.59) HDAC6NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL3756198 0.81 NPC1 (0.64) HDAC6NOTUMNPC1RAB9ADGAT1
SCHEMBL22116712 0.79 NPC1 (0.57) HDAC6NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL22116883 0.78 NPC1 (0.60) HDAC6NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL3228041 0.77 DGAT1 (0.55) HDAC6NPC1RAB9ADGAT1SMN1; SMN2
SCHEMBL22116917 0.77 NPC1 (0.57) HDAC6NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL19354612 0.77 HDAC6 (0.49) HDAC6NOTUMNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
WO-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 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 (1 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-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PRNP, PSEN1 HDAC6 706/4885NOTUM 3727/4885PTPN5 4300/4885

“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.