SCHEMBL5044524

SCHEMBL5044524

Cn1c(CO)nc2sccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.56
LTK P29376 1/20 0.56
TYRO3 Q06418 1/20 0.56
NTRK2 Q16620 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
RHEB Q15382 1/20 0.37
LMNA P02545 3/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 2/20 0.33
ALDH1A1 P00352 2/20 0.32
RCOR1 Q9UKL0 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5044397 0.76 NTRK1 (0.61) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5039477 0.73 NTRK1 (0.63) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5041289 0.72 CLK4 (1.00) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5036397 0.64 RHEB (0.35) RHEBPOLBHDAC6
SCHEMBL5518117 0.63 ATM (0.51) RHEBLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL13313014 0.63 KDM4E (0.57) RHEBALDH1A1TSHRSMN1; SMN2HDAC6
SCHEMBL30590774 0.62 GRM2 (0.43) RHEBLMNAALDH1A1POLBSMN1; SMN2
SCHEMBL3988029 0.62 KMT2A (0.55) RHEBLMNAALDH1A1POLBTSHR
SCHEMBL31569633 0.62 MAPT (0.49) RHEBLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL13180853 0.61 LMNA (0.70) NTRK1LTKTYRO3NTRK2CLK4

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 6 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
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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 NTRK1 3801/4885LTK 4647/4885TYRO3 3352/4885

“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.