SCHEMBL4615274

SCHEMBL4615274

Cn1c(=O)sc2cc3ccccc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SIGMAR1 Q99720 8/20 0.44
HTR1A P08908 2/20 0.43
HTR2C P28335 2/20 0.43
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CA9 Q16790 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ACHE P22303 1/20 0.40
DAO P14920 1/20 0.40
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL61339 0.76 F12 (0.59) KDM4EALDH1A1MAPT
Formaldehyde SCHEMBL28698810 0.75 F12 (0.57) KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL1719468 0.75 F12 (0.57) KDM4EALDH1A1MAPT
SCHEMBL4614600 0.74 MAPT (0.41) LMNAKDM4EALDH1A1MAPT
SCHEMBL4614598 0.74 MAPT (0.41) LMNAKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL28900590 0.73 F12 (0.55) KDM4EALDH1A1MAPT
Hydrazine SCHEMBL654287 0.73 F12 (0.55) KDM4EALDH1A1MAPT
SCHEMBL9886026 0.72 CYP2A6 (0.44) SIGMAR1HTR1AHTR2CCYP19A1ALDH1A1
SCHEMBL4616475 0.72 MAPT (0.51) SIGMAR1HTR1AHTR2CCYP19A1KDM4E
Hydrazine SCHEMBL9146358 0.72 F12 (0.53) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 US claimed
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
US-7291183-B2 Agent and method for dyeing keratin fibers WELLA AG (DE) 2007-11-06 US disclosed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US disclosed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US disclosed
US-20060010616-A1 Agent and method for dyeing keratin fibers Wella GmbH (DE) 2006-01-19 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 (4 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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 LMNA 984/4885SIGMAR1 4373/4885HTR1A 4620/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 LMNA 90/4885SIGMAR1 4478/4885HTR1A 4549/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B LMNA 103/4885SIGMAR1 4448/4885HTR1A 4587/4885
US-20060010616-A1 Agent and method for dyeing keratin fibers KRT18, KIT, MKI67 LMNA 583/4885SIGMAR1 3812/4885HTR1A 4582/4885

“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.