SCHEMBL13619063

SCHEMBL13619063

Cc1ccc(N=Nc2ccc(N=Nc3c(SOOO)cc4cc(N)ccc4c3O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 8/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 4/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK2 P24941 2/20 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
SCHEMBL11911530 0.92 CYP1A2 (0.39) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL13619062 0.89 MEN1 (0.40) CYP1A2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL11911476 0.86 CYP1A2 (0.34) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL13758603 0.84 NPC1 (0.39) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL13432766 0.83 NPC1 (0.38) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL12377654 0.82 PRMT1 (0.49) CYP1A2CYP2C9NPC1RAB9AMAPT
SCHEMBL13088656 0.82 PHLPP2 (0.38) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL14079901 0.82 PTPN11 (0.32) —
SCHEMBL13619051 0.81 MEN1 (0.42) CYP1A2CYP2C9NPC1RAB9AKMT2A
SCHEMBL13432711 0.81 CYP1A2 (0.34) CYP1A2CYP2C9NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 — — US disclosed
US-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-07-09 — — 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-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group SRM, PADI1, NOS1 CYP1A2 89/4885CYP2C9 1080/4885NPC1 2140/4885

“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.

Send feedback