SCHEMBL2686058

SCHEMBL2686058

CC(=O)OC(Cc1ccccc1)n1c(C)nc2cc(-c3nc4ccccc4o3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.44
▸ P2RY14 Q15391 4/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL2686055 0.81 RAB9A (0.42) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2687985 0.78 NPC1 (0.49) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10219728 0.77 NPC1 (0.48) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2688640 0.77 NPC1 (0.42) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2687366 0.75 TSHR (0.44) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2687137 0.75 KDM4E (0.46) RAB9AP2RY14NPC1ALDH1A1MAPT
SCHEMBL2687478 0.75 TNF (0.58) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL10219903 0.74 APAF1 (0.63) RAB9AP2RY14NPC1ALDH1A1MAPT
SCHEMBL15673585 0.74 RAB9A (0.43) RAB9AP2RY14NPC1ALDH1A1MAPT
SCHEMBL2687577 0.73 MEN1 (0.47) RAB9ANPC1ALDH1A1MAPTSMN1; 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 3 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
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

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 RAB9A 2914/4885P2RY14 4641/4885NPC1 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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