SCHEMBL16369057

SCHEMBL16369057

CCCCCOC1=C/C(=N/c2ccc(N)cc2)C(N)=CC1=N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CHUK O15111 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL15018540 1.00 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL15018539 1.00 NPC1 (0.36) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL20853560 0.99 MAPT (0.38) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL20853561 0.99 MAPT (0.38) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL15037506 0.99 MAPT (0.38) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL20853540 0.97 TSHR (0.36) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL15037477 0.97 TSHR (0.36) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL20853539 0.97 TSHR (0.36) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL15018422 0.93 MEN1 (0.36) RAB9AMAPTALDH1A1TSHRLMNA
SCHEMBL16369060 0.93 MEN1 (0.36) RAB9AMAPTALDH1A1TSHRLMNA

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 5 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 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

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 4275/4885MAPT 755/4885

“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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