SCHEMBL17873243

SCHEMBL17873243

O=C(O)Nc1cccc2c1COC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TRPV1 Q8NER1 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL6473993 0.85 NPC1 (0.39) NPC1RAB9AALDH1A1TSHRTRPV1
SCHEMBL6473995 0.85 NPC1 (0.56) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL24534295 0.81 ALDH1A1 (0.43) NPC1RAB9AALDH1A1TSHRMEN1
SCHEMBL17873261 0.77 RXFP1 (0.41) NPC1RAB9ALMNAPOLB
SCHEMBL19305874 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTRPV1MEN1KMT2A
SCHEMBL9381352 0.75 KDM4E (0.43) NPC1RAB9AALDH1A1TSHRMEN1
SCHEMBL8306884 0.74 KDM4E (0.33) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL6627142 0.74 ALDH1A1 (0.65) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL17873244 0.72 POLB (0.35) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1156914 0.71 NPC1 (0.74) NPC1RAB9AALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237410-B1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2020-12-16 EP disclosed
US-10273231-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2019-04-30 US disclosed
US-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2019-02-07 US disclosed
US-10093662-B2 Azoline compounds substituted by a condensed ring system BASF SE (DE) 2018-10-09 US disclosed
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2018-01-04 US disclosed
EP-3237410-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2017-11-01 EP disclosed
WO-2016102482-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM BASF SE (DE) 2016-06-30 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-20190040050-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL5, CUL1, CUL3 NPC1 2166/4885RAB9A 2401/4885ALDH1A1 1791/4885
US-20180002323-A1 AZOLINE COMPOUNDS SUBSTITUTED BY A CONDENSED RING SYSTEM CUL1, CRY1, CUL5 NPC1 1348/4885RAB9A 1657/4885ALDH1A1 1313/4885
US-10093662-B2 Azoline compounds substituted by a condensed ring system CUL1, CRY1, CUL5 NPC1 1348/4885RAB9A 1657/4885ALDH1A1 1313/4885
US-10273231-B2 Azoline compounds substituted by a condensed ring system CUL5, CUL1, CUL3 NPC1 2166/4885RAB9A 2401/4885ALDH1A1 1791/4885

“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.