SCHEMBL21596900

SCHEMBL21596900

CCOc1cccc2c(N)noc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TLR8 Q9NR97 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA2B P29275 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
DHFR P00374 1/20 0.37
TP53 P04637 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL21596822 0.79 DCPS (0.44) DHFR
SCHEMBL17198198 0.75 GABRA1 (0.41) TLR8SMN1; SMN2DHFR
SCHEMBL21596931 0.74 ALDH1A1 (0.44) ALDH1A1TLR8LMNACYP2A6KDM4E
SCHEMBL1782232 0.74 KDR (0.46) ALDH1A1TLR8LMNACYP2A6KDM4E
SCHEMBL28966401 0.73 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL18460314 0.73 TSHR (0.40) TLR8SMN1; SMN2
SCHEMBL4572282 0.72 SMN1; SMN2 (0.50) ALDH1A1LMNASMN1; SMN2CYP2A6KDM4E
SCHEMBL7967857 0.71 PDE5A (0.45)
SCHEMBL21596935 0.71 ALDH1A1 (0.44) ALDH1A1TLR8LMNASMN1; SMN2CA12
SCHEMBL30503999 0.70 ALDH1A1 (0.54) ALDH1A1LMNACYP2A6KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 CN disclosed
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US disclosed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 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 (4 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-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 ALDH1A1 981/4885TLR8 3696/4885LMNA 1393/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 ALDH1A1 982/4885TLR8 3693/4885LMNA 1392/4885
US-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B ALDH1A1 1864/4885TLR8 4003/4885LMNA 3274/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 ALDH1A1 982/4885TLR8 3693/4885LMNA 1392/4885

“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.