SCHEMBL17956037

SCHEMBL17956037

COc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(Cc3ccc(C(=N)N)cc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ F7 P08709 2/20 0.40
▸ F3 P13726 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL18136073 0.92 KDM4E (0.38) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17955923 0.91 KDM4E (0.41) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL2105872 0.91 NPC1 (0.46) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17955988 0.90 F7 (0.39) F2F7F3TP53
SCHEMBL17955940 0.89 KDM4E (0.40) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17955937 0.89 KDM4E (0.40) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17955956 0.88 F2 (0.44) F2F7F3PRSS1PRSS2
SCHEMBL9980441 0.88 NPC1 (0.44) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL9980465 0.88 KDM4E (0.47) KDM4EHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17955989 0.87 F2 (0.38) ALDH1A1F2F7F3GAA

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-3050875-B1 NOVEL IMIDAZOLE DERIVATIVE AND THERAPEUTICAL USE THEREOF UNIV YONSEI IACF (KR) 2019-03-13 — — EP disclosed
US-20160297768-A1 NOVEL IMIDAZOLE DERIVATIVES AND THERAPEUTIC USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-10-13 — — US disclosed
US-20160297768-A1 NOVEL IMIDAZOLE DERIVATIVES AND THERAPEUTIC USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-10-13 — — US disclosed
EP-3050875-A1 NOVEL IMIDAZOLE DERIVATIVE AND THERAPEUTICAL USE THEREOF Industry-Academic Cooperation Foundation, Yonsei University (KR) 2016-08-03 — — EP 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 (1 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-20160297768-A1 NOVEL IMIDAZOLE DERIVATIVES AND THERAPEUTIC USE THEREOF TP53, BAD, API5 KDM4E 1678/4885HTT 3915/4885SMN1; SMN2 3608/4885

“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.

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