SCHEMBL4594720

SCHEMBL4594720

Cn1ccnc(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.45
OPRK1 P41145 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NSD3 Q9BZ95 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL28988607 0.82 NPC1 (0.41) BRD4KDM4EALDH1A1GAAHPGD
SCHEMBL996893 0.78 ESR1 (0.43) BRD4OPRK1PDE3BPDE3AKDM4E
SCHEMBL998573 0.77 OPRK1 (0.54) BRD4OPRK1PDE3BPDE3AKDM4E
SCHEMBL998539 0.77 ALDH1A1 (0.47) BRD4OPRK1PDE3BPDE3AKDM4E
SCHEMBL7615987 0.76 OPRK1 (0.44) OPRK1PDE3BPDE3AKDM4EALDH1A1
SCHEMBL996565 0.76 ALDH1A1 (0.49) OPRK1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7642155 0.74 NSD3 (0.41) PDE3BPDE3AKDM4ENSD3KMT2A
SCHEMBL7642157 0.74 NSD3 (0.41) PDE3BPDE3AKDM4ENSD3KMT2A
SCHEMBL998566 0.74 OPRK1 (0.48) BRD4OPRK1PDE3BPDE3AALDH1A1
SCHEMBL15135262 0.74 MAPT (0.51) BRD4KDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7367993-B2 Dyeing compositions comprising at least one 1,3-indandione derivative L'OREAL S.A. (FR) 2008-05-06 US claimed
EP-1502580-B1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles OREAL (FR) 2008-01-23 EP claimed
EP-1500387-B1 Use of ninhydrin derivatives for dyeing OREAL (FR) 2008-01-09 EP claimed
US-7182791-B2 Composition and method of dyeing keratin fibers comprising at least one heteroalkyl group comprising at least one ninhydrin derivative L'OREAL S.A. (FR) 2007-02-27 US claimed
US-7179306-B2 Process for dying keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2007-02-20 US claimed
US-7179304-B2 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2007-02-20 US claimed
US-20050283923-A1 Dyeing compositions comprising A 1,2-indandione derivative L'OREAL S.A. (FR) 2005-12-29 US claimed
US-20050283922-A1 Dyeing compositions comprising at least one 1,3-indandione derivative L'OREAL S.A. (FR) 2005-12-29 US claimed
EP-1609458-A1 Dye composition comprising derivatives of 1,3-indandione L'OREAL (FR) 2005-12-28 EP claimed
EP-1609457-A1 Dye composition comprising derivative of 1,2-indandione L'OREAL (FR) 2005-12-28 EP claimed
EP-1537851-A1 Use of ninhydrin derivatives in colouring L'OREAL (FR) 2005-06-08 EP claimed
EP-1537852-A1 Use of ninhydrin derivatives in colouring L'OREAL (FR) 2005-06-08 EP claimed
EP-1535600-A1 Use of derivatives of ninhydrin carrying an unsaturated system in colouring L'OREAL (FR) 2005-06-01 EP claimed
EP-1535601-A1 Use of ninhydrin derivatives in colouring L'OREAL (FR) 2005-06-01 EP claimed
EP-1530963-A1 Use of ninhydrin derivatives in colouring L'OREAL (FR) 2005-05-18 EP claimed
US-20050060818-A1 Composition and method of dyeing keratin fibers comprising at least one heteroalkyl group comprising at least one ninhydrin derivative L'OREAL S.A. (FR) 2005-03-24 US claimed
US-20050050652-A1 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2005-03-10 US claimed
US-20050050655-A1 Process for dyeing keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative L'OREAL S.A. (FR) 2005-03-10 US claimed
EP-1502580-A1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles L'OREAL (FR) 2005-02-02 EP claimed
EP-1500387-A1 Use of ninhydrin derivatives for dyeing L'OREAL (FR) 2005-01-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050283922-A1 Dyeing compositions comprising at least one 1,3-indandione derivative KRT18, DSG1, IK BRD4 1395/4885OPRK1 3599/4885PDE3B 3315/4885
US-20050050652-A1 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione KRT18, HKDC1, JUP BRD4 3121/4885OPRK1 4127/4885PDE3B 4628/4885
US-20050283923-A1 Dyeing compositions comprising A 1,2-indandione derivative KRT18, DSG1, KRTCAP2 BRD4 1200/4885OPRK1 4349/4885PDE3B 3973/4885
US-20050060818-A1 Composition and method of dyeing keratin fibers comprising at least one heteroalkyl group comprising at least one ninhydrin derivative KRT18, C9, S100A6 BRD4 908/4885OPRK1 2486/4885PDE3B 4826/4885
US-20050050655-A1 Process for dyeing keratin fibers comprising at least one aryl or aryloxy substitutent-based ninhydrin derivative KRT18, JUP, NISCH BRD4 1632/4885OPRK1 3103/4885PDE3B 4143/4885

“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.