SCHEMBL2688338

SCHEMBL2688338

CC(=C=O)Cn1c(C)nc2cc(-c3nc4ccccc4o3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ KDM4E B2RXH2 8/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ HPGD P15428 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ HSD17B10 Q99714 7/20 0.42
▸ MAPT P10636 4/20 0.42
▸ USP2 O75604 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42

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) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2687383 0.82 KDM4E (0.55) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2688624 0.81 KMT2A (0.53) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2686518 0.81 KDM4E (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2686523 0.80 KDM4E (0.48) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2686813 0.80 KDM4E (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL10219836 0.79 BRD4 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2687042 0.79 NPC1 (0.46) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL10219624 0.79 NPC1 (0.49) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL2687478 0.79 TNF (0.58) RAB9AKDM4EALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2914/4885NPC1 525/4885KDM4E 4538/4885

“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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