SCHEMBL129144

SCHEMBL129144

Cc1c2cc(CO)c(CO)cc2cc(-c2cccc(C#N)c2)[n+]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.38
▸ CLK4 Q9HAZ1 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ USP2 O75604 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADRA2C P18825 1/20 0.34

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
SCHEMBL128006 0.83 APOBEC3A (0.38) ALDH1A1MEN1KMT2A
SCHEMBL129980 0.80 TSHR (0.40) CLK4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL127674 0.79 HTT (0.41) ALDH1A1MEN1KMT2A
SCHEMBL130141 0.77 CHEK1 (0.33) CLK4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL128999 0.76 CTSS (0.46) F11CLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL5446462 0.68 XDH (0.46) CLK4ALDH1A1CYP1A2CYP3A4ADRA2C
SCHEMBL688074 0.65 PRKCI (0.53) CLK4ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL6166155 0.65 ADRA2C (0.68) CLK4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL27691534 0.65 CLK4 (0.41) CLK4ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL127670 0.64 APOBEC3A (0.59) CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L F11 285/4885CLK4 3966/4885ALDH1A1 2930/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L F11 287/4885CLK4 4042/4885ALDH1A1 3376/4885

“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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