SCHEMBL25351455

SCHEMBL25351455

CC(=O)Nc1cc(F)cc2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.47
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NR3C1 P04150 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ AR P10275 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL23739980 0.84 ROCK2 (0.47) ROCK2MAOAMAOBRAB9ANR3C1
SCHEMBL18661406 0.83 ROCK2 (0.46) ROCK2MAOAMAOBRAB9AHDAC1
SCHEMBL31607389 0.83 ROCK2 (0.46) ROCK2MAOAMAOBRAB9AHDAC1
SCHEMBL30088006 0.79 XDH (0.46) ROCK2MAOAMAOBESR1GRM5
SCHEMBL28601707 0.79 XDH (0.46) ROCK2MAOAMAOBESR1GRM5
SCHEMBL6091339 0.77 NR3C1 (0.57) ROCK2NR3C1PGRNR3C2AR
SCHEMBL31456523 0.77 NR3C1 (0.57) ROCK2NR3C1PGRNR3C2AR
SCHEMBL21805739 0.76 ROCK2 (0.40) ROCK2MAOAMAOBRAB9ANPC1
SCHEMBL25350212 0.73 AHR (0.39) RAB9ANR3C1PGRNR3C2AR
SCHEMBL571870 0.71 CA1 (0.44) ROCK2RAB9AHDAC1HDAC6NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731939-B1 Indole-based chalcone compounds as antibacterial agents King Faisal University (SA) 2023-08-22 — — 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-11731939-B1 Indole-based chalcone compounds as antibacterial agents TPH1, TOP2B, POLB ROCK2 1943/4885MAOA 229/4885MAOB 48/4885

“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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