SCHEMBL18004471

SCHEMBL18004471

N#Cc1[nH]nnc1-c1cc(F)cc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.40
▸ SRD5A1 P18405 1/20 0.35
▸ NR1H2 P55055 5/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ QPCT Q16769 1/20 0.33
▸ DHFR P00374 1/20 0.31
▸ DCPS Q96C86 1/20 0.31
▸ PIEZO1 Q92508 1/20 0.31

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
SCHEMBL18004399 0.92 ESRRA (0.35) SRD5A2SRD5A1
SCHEMBL16399270 0.92 SRD5A2 (0.41) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL18004217 0.89 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL18004440 0.89 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL18004327 0.89 NR1H2 (0.40) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL16398931 0.89 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL16399554 0.89 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2NR1H3QPCT
SCHEMBL18004292 0.89 IDO1 (0.39) NR1H2NR1H3DHFRDCPS
SCHEMBL18004321 0.88 NR1H2 (0.39) SRD5A2SRD5A1NR1H2NR1H3
SCHEMBL18004488 0.88 SRD5A2 (0.47) SRD5A2SRD5A1NR1H2NR1H3QPCT

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 3 patents. 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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SRD5A2 937/4885SRD5A1 764/4885NR1H2 552/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SRD5A2 937/4885SRD5A1 764/4885NR1H2 552/4885

“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.

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