SCHEMBL24198751

SCHEMBL24198751

CC(C)(C)C(=O)c1cnc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCR9 P51686 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ LTC4S Q16873 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ JUN P05412 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33
▸ RELA Q04206 2/20 0.33
▸ NAPRT Q6XQN6 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL29922446 0.87 NNMT (0.39) NNMTALDH1A1HTTCCR9POLB
SCHEMBL16703762 0.79 CCR9 (0.36) NNMTALDH1A1HTTSMN1; SMN2CCR9
SCHEMBL13304188 0.79 NNMT (0.43) NNMTALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL29562604 0.79 NNMT (0.43) NNMTALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL16333365 0.78 NNMT (0.42) NNMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29577063 0.78 NNMT (0.42) NNMTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28662886 0.78 NNMT (0.42) NNMTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL18298896 0.77 ATR (0.43) NNMTKMT2AJUNNFKB1NFKB2
SCHEMBL30726361 0.77 ATR (0.43) NNMTKMT2AJUNNFKB1NFKB2
SCHEMBL625580 0.76 SMN1; SMN2 (0.47) NNMTALDH1A1SMN1; SMN2MEN1KMT2A

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-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD NNMT 3978/4885ALDH1A1 4859/4885HTT 4192/4885

“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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