SCHEMBL18005487

SCHEMBL18005487

N#Cc1[nH]nnc1-c1nc(-c2ccc(Cl)cc2)oc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.39
KDM4E B2RXH2 9/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
ALOX15B O15296 1/20 0.39
HPGD P15428 7/20 0.38
NPC1 O15118 6/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34

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
SCHEMBL18005325 0.89 NPC1 (0.40) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18005276 0.89 PRCP (0.42) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL18005491 0.88 NOTUM (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18005301 0.88 ALOX15 (0.41) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL18005291 0.87 GRM5 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2ALOX15
SCHEMBL16399641 0.87 GRM5 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18005215 0.87 NOTUM (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18005326 0.86 CETP (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL18005351 0.86 KDM1A (0.33) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL18005300 0.85 ALOX15 (0.34) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD

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 ALDH1A1 1611/4885KDM4E 2681/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885KDM4E 2681/4885RAB9A 4775/4885

“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.