SCHEMBL22970752

SCHEMBL22970752

FC(F)(F)c1cnc(Nc2cnccn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.37
KDR P35968 1/20 0.36
CHEK1 O14757 1/20 0.36
HTR3A P46098 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL22971207 0.82 ALOX15 (0.40) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL22971115 0.80 ABL1 (0.46) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL22971234 0.80 ALOX15 (0.41) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL5787755 0.79 KDR (0.47) HSD17B10ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL181112 0.77 ABL1 (0.57) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL22970824 0.77 RAB9A (0.48) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL631338 0.75 TRPV4 (0.44) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL29526853 0.75 TRPV4 (0.44) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL22970832 0.74 ALOX15 (0.51) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL22971351 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 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 (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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 ALOX15 1723/4885TSHR 705/4885CASP1 614/4885

“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.