SCHEMBL5039614

SCHEMBL5039614

CCOc1nc2c(ccn2C)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
PKM P14618 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5039473 0.80 MEN1 (0.36) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13543523 0.70 RAB9A (0.54) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL5035931 0.70 KDM4E (0.41) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL5039569 0.68 KDM4E (0.33) KDM4E
SCHEMBL11923729 0.67 TLR8 (0.44) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL28050091 0.66 HRH4 (0.37) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL11923723 0.66 SMN1; SMN2 (0.40) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL7977149 0.66 TLR8 (0.46) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL14889259 0.65 MAPT (0.36) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL24969101 0.64 CHRNA7 (0.40) MAPTL3MBTL1LMNAMEN1KMT2A

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-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B MAPT 439/4885L3MBTL1 4665/4885LMNA 351/4885

“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.