SCHEMBL2686518

SCHEMBL2686518

Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL2687137 0.86 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2687903 0.85 APAF1 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2688141 0.84 BRD4 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2687042 0.81 NPC1 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2688338 0.81 RAB9A (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2687383 0.80 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30951936 0.79 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL2688624 0.79 KMT2A (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10219836 0.79 BRD4 (0.51) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL10219903 0.78 APAF1 (0.63) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 — — US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 — — US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 — — US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 — — EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 — — US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 — — US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 — — 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 (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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 KDM4E 4538/4885ALDH1A1 1772/4885NPC1 525/4885

“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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