SCHEMBL15037448

SCHEMBL15037448

CCCCOC1=C/C(=N/c2ccc(N(CC)CCO)cc2)C(N)=CC1=N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL15037472 1.00 NPC1 (0.36) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL20853528 1.00 NPC1 (0.36) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL15018684 0.96 CYP1A2 (0.32) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL15018604 0.96 CYP1A2 (0.32) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL20853519 0.94 CYP1A2 (0.30) NPC1RAB9AMAPTGAACYP1A2
SCHEMBL16369064 0.94 CYP1A2 (0.30) NPC1RAB9AMAPTGAACYP1A2
SCHEMBL20853538 0.93 CHUK (0.32) NPC1RAB9AMAPTGAACYP1A2
SCHEMBL15037538 0.93 CHUK (0.32) NPC1RAB9AMAPTGAACYP1A2
SCHEMBL15018630 0.92 CYP2C9 (0.32) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL16369058 0.92 CYP2C9 (0.32) NPC1RAB9AKMT2AMAPTPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP claimed
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
WO-2013087636-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2013-06-20 — — 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-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF KRT18, IK, MKI67 NPC1 4361/4885RAB9A 4275/4885KMT2A 881/4885

“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.

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