SCHEMBL21945695

SCHEMBL21945695

C/N=C/c1[nH]nnc1-c1cccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.40
▸ NR1H3 Q13133 4/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ SRD5A1 P18405 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SPHK2 Q9NRA0 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL21945753 0.90 SRD5A2 (0.44) NR1H2NR1H3SRD5A2SRD5A1ABL1
SCHEMBL21945126 0.86 MAOB (0.46) NR1H2NR1H3
SCHEMBL21945735 0.84 PRMT6 (0.34) NR1H2NR1H3PRMT6PRMT8PDE4B
SCHEMBL21945079 0.84 ESRRA (0.36) SRD5A2NPC1RAB9A
SCHEMBL26070378 0.81 MRGPRX4 (0.43) KDM4E
SCHEMBL21945135 0.81 ADORA2A (0.42) LMNATDP1PRMT6PRMT8KDM4E
SCHEMBL16399235 0.81 NR1H2 (0.42) NR1H2NR1H3SRD5A2SRD5A1LMNA
SCHEMBL26070403 0.79 GPR84 (0.35) NR1H2NR1H3TDP1KDM4ENPC1
SCHEMBL26070335 0.79 QPCT (0.32) —
SCHEMBL28320645 0.76 SRD5A2 (0.43) NR1H2NR1H3SRD5A2SRD5A1LMNA

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NR1H2 552/4885NR1H3 498/4885SRD5A2 937/4885

“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.

Send feedback