SCHEMBL22254835

SCHEMBL22254835

O=C(Nc1ccn(-c2ccc(CNCCC3CNC3)cc2)c(=O)n1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ TPSAB1 Q15661 4/20 0.33
▸ TPSD1 Q9BZJ3 4/20 0.33
▸ TPSG1 Q9NRR2 4/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ METTL3 Q86U44 3/20 0.31
▸ USP28 Q96RU2 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ USP25 Q9UHP3 1/20 0.30
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL22254837 0.92 MAPK8 (0.35) POLBTPSAB1TPSD1TPSG1MAPK8
SCHEMBL22254871 0.88 TPSAB1 (0.32) TPSAB1TPSD1TPSG1PRSS1PRSS2
Hydrochloric Acid SCHEMBL22233823 0.87 TPSAB1 (0.31) TPSAB1TPSD1TPSG1PRSS1PRSS2
SCHEMBL22254148 0.86 USP28 (0.36) POLBMAPK8USP28USP25
SCHEMBL22248915 0.86 MAPK8 (0.33) POLBMAPK8
SCHEMBL25551709 0.84 POLB (0.33) POLBMAPK8ROCK2
SCHEMBL22254135 0.84 POLB (0.33) POLBMAPK8ROCK2
SCHEMBL25551386 0.83 POLB (0.38) POLBTPSAB1TPSD1TPSG1MAPK8
SCHEMBL22254839 0.81 POLB (0.33) POLBMAPK8
SCHEMBL22249124 0.80 ROCK2 (0.36) POLBROCK2

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — 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 (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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 POLB 108/4885TPSAB1 2082/4885TPSD1 2161/4885

“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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