SCHEMBL4625409

SCHEMBL4625409

CC(=O)NCCc1cc(N)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.46
MTNR1A P48039 7/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
BLM P54132 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
PTGS1 P23219 1/20 0.45
HIF1A Q16665 1/20 0.45
F13A1 P00488 1/20 0.45
NQO2 P16083 1/20 0.44
CYP1A2 P05177 3/20 0.43
NOTUM Q6P988 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
IDO1 P14902 1/20 0.43
SPR P35270 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1708818 0.83 NPSR1 (0.41) MTNR1AKDM4EALDH1A1BLMMAPT
SCHEMBL6272499 0.83 CD274 (0.39) KDM4EALDH1A1BLMMAPTHPGD
Hydrochloric Acid SCHEMBL7097957 0.81 CD274 (0.38) KDM4EALDH1A1BLMMAPTHPGD
SCHEMBL7629620 0.81 MTNR1A (0.49) MTNR1BMTNR1AKDM4EALDH1A1BLM
Hydrochloric Acid SCHEMBL6679209 0.81 KMT2A (0.42) MTNR1AKDM4EALDH1A1BLMMAPT
SCHEMBL3072431 0.79 MTNR1A (0.61) MTNR1BMTNR1AKDM4EBLMLMNA
SCHEMBL11443256 0.79 S100B (0.46) MTNR1BMTNR1AKDM4EALDH1A1BLM
SCHEMBL20968300 0.79 NQO2 (0.51) KDM4EALDH1A1HPGDNQO2IDO1
SCHEMBL11487217 0.78 RAB9A (0.50) MTNR1BMTNR1ALMNAHIF1ANQO2
Hydrochloric Acid SCHEMBL6270873 0.77 CD274 (0.36) BLMMAPTMEN1PKMKMT2A

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-1234569-B1 COMPOSITIONS FOR DYEING KERATIN FIBRES LION CORP (JP) 2008-07-02 EP disclosed
US-6958080-B2 Compositions for dyeing keratinous fiber LION CORPORATION (JP) 2005-10-25 US disclosed
US-20030106166-A1 Compositions for dyeing keratinous fiber LION CORPORATION (JP) 2003-06-12 US disclosed
EP-1234569-A1 COMPOSITIONS FOR DYEING HORNY FIBERS Lion Corporation (JP) 2002-08-28 EP 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-20030106166-A1 Compositions for dyeing keratinous fiber KRT18, LPO, CKMT1A; CKMT1B MTNR1B 2823/4885MTNR1A 2219/4885KDM4E 982/4885

“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.