SCHEMBL18006249

SCHEMBL18006249

COc1ccc(OCc2cccc(-c3nn[nH]c3C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 5/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 2/20 0.40
FFAR1 O14842 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL18006248 0.92 MAOB (0.49) MRGPRX4MAOBFFAR1PPARD
SCHEMBL18006254 0.91 FFAR1 (0.45) MAOBCYP4F2CYP4A11FFAR1CYP11B1
SCHEMBL18004687 0.89 NR4A2 (0.45) MRGPRX4MAOBCYP4F2CYP4A11FFAR1
SCHEMBL18006255 0.89 MAOB (0.45) RAB9AALDH1A1KDM4ENPC1LMNA
SCHEMBL18004696 0.88 MRGPRX4 (0.43) MRGPRX4MAOBCYP4F2CYP4A11CYP11B1
SCHEMBL18006271 0.88 FFAR1 (0.42) MAOBCYP4F2CYP4A11FFAR1
SCHEMBL18006273 0.88 MRGPRX4 (0.46) MRGPRX4CYP4F2CYP4A11FFAR1CYP11B1
SCHEMBL18006256 0.86 MRGPRX4 (0.43) RAB9AMRGPRX4MAOBCYP4F2CYP4A11
SCHEMBL18006257 0.86 GRM5 (0.42) TP53MRGPRX4MAOBCYP4F2CYP4A11
SCHEMBL18006266 0.85 MRGPRX4 (0.46) MRGPRX4MAOBCYP4F2CYP4A11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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 RAB9A 4775/4885SMN1; SMN2 3834/4885ALDH1A1 1611/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RAB9A 4775/4885SMN1; SMN2 3834/4885ALDH1A1 1611/4885

“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.