SCHEMBL18005221

SCHEMBL18005221

COc1cccc(-c2nc(-c3nn[nH]c3C#N)c(C3CC3)o2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18005302 0.89 USP7 (0.42) KDM4ESMN1; SMN2RAB9AHPGDNPC1
SCHEMBL18005356 0.86 L3MBTL1 (0.40) KDM4ERAB9ANPC1L3MBTL1NOTUM
SCHEMBL16399641 0.86 GRM5 (0.43) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL16399129 0.83 NOTUM (0.40) KDM4EKMT2ARAB9AMAPTALDH1A1
SCHEMBL18005366 0.82 ALOX15 (0.40) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL18005363 0.82 ALOX15 (0.40) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL18005494 0.81 ALOX15 (0.40) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL18005325 0.81 NPC1 (0.40) KDM4EKMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL18005301 0.81 ALOX15 (0.41) KDM4ERAB9AMAPTALDH1A1HPGD
SCHEMBL18005351 0.81 KDM1A (0.33) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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 KDM4E 2681/4885KMT2A 865/4885SMN1; SMN2 3834/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885KMT2A 865/4885SMN1; SMN2 3834/4885

“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.