SCHEMBL128999

SCHEMBL128999

Cc1nc(-c2cccc(C#N)c2)cc2cc(CO)c(CO)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ F11 P03951 1/20 0.42
▸ XDH P47989 1/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2C19 P33261 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CLK4 Q9HAZ1 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL128848 0.82 RAC1 (0.42) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL128853 0.82 AKR1C3 (0.43) KDM4EMAPTMEN1KMT2A
SCHEMBL128040 0.81 RAC1 (0.44) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL179692 0.79 RAC1 (0.61) CTSSCTSKCYP1A2CYP3A4CYP2C19
SCHEMBL127673 0.78 RAC1 (0.40) TSHRKDM4EMAPTMEN1ALDH1A1
SCHEMBL128022 0.76 PFKFB3 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6MAPK1
SCHEMBL129144 0.76 F11 (0.38) CTSSCTSKF11CYP1A2CYP3A4
SCHEMBL15178704 0.75 PTGDR (0.51) CTSSCTSKXDHCYP1A2CYP3A4
SCHEMBL128707 0.71 SDHB (0.39) F11CYP3A4HSD17B10KDM4EMAPT
SCHEMBL20632236 0.71 CTSS (0.49) CTSSCTSKF11XDHCYP1A2

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 CTSS 1296/4885CTSK 2178/4885F11 285/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CTSS 1241/4885CTSK 2025/4885F11 287/4885

“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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