SCHEMBL18005363

SCHEMBL18005363

N#Cc1[nH]nnc1-c1nc(-c2cccc(Cl)c2)oc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
GRM5 P41594 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
NOTUM Q6P988 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL18005494 0.99 ALOX15 (0.40) ALOX15GRM5KMT2AMEN1SMN1; SMN2
SCHEMBL18005366 0.98 ALOX15 (0.40) ALOX15GRM5KMT2AMEN1SMN1; SMN2
SCHEMBL16399641 0.96 GRM5 (0.43) ALOX15GRM5KMT2AMEN1SMN1; SMN2
SCHEMBL18005574 0.86 GRM5 (0.40) GRM5SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL18005305 0.85 NOTUM (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL18005328 0.85 MDM2 (0.41) GRM5SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL18005576 0.85 KDM1A (0.32) GRM5SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL18005436 0.85 NOTUM (0.38) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL18005397 0.84 GRM5 (0.40) ALOX15GRM5SMN1; SMN2RAB9AKDM4E
SCHEMBL18005356 0.84 L3MBTL1 (0.40) GRM5NPC1RAB9AKDM4ENOTUM

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 ALOX15 2623/4885GRM5 1425/4885KMT2A 865/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALOX15 2623/4885GRM5 1425/4885KMT2A 865/4885

“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.