SCHEMBL5041555

SCHEMBL5041555

Cn1c(N)cc2sccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
LTK P29376 1/20 0.44
TYRO3 Q06418 1/20 0.44
NTRK2 Q16620 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KDM1A O60341 11/20 0.43
RAB9A P51151 4/20 0.43
RCOR1 Q9UKL0 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 4/20 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
SCHEMBL5174401 0.77 POLB (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL435115 0.77 KDM1A (0.46) KDM1ARAB9ARCOR1NPC1SMN1; SMN2
SCHEMBL4417235 0.76 NTRK1 (0.39) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL4416582 0.76 KDM4E (0.36) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5172917 0.75 POLB (0.36) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL5036813 0.75 KDM1A (0.46) KDM1ARAB9ARCOR1NPC1SMN1; SMN2
SCHEMBL24188606 0.72 KDM1A (0.41) KDM1ARAB9ARCOR1NPC1SMN1; SMN2
SCHEMBL19229614 0.72 KDM1A (0.49) KDM1ARAB9ARCOR1NPC1SMN1; SMN2
SCHEMBL21921094 0.72 KDM1A (0.50) KDM1ARAB9ARCOR1NPC1SMN1; SMN2
SCHEMBL5036630 0.72 MAPT (0.47) KDM1ARAB9ARCOR1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2021-05-13 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (3 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-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CFTR, ABCB11, CEL NTRK1 4856/4885LTK 2611/4885TYRO3 1994/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 NTRK1 4635/4885LTK 1713/4885TYRO3 2652/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B NTRK1 3801/4885LTK 4647/4885TYRO3 3352/4885

“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.