Sugi Predict

Sugi Predict / Compounds / SCHEMBL5018358

SCHEMBL5018358

SCHEMBL5018358

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MASP2 O00187 2/20 0.35
▸ F2 P00734 2/20 0.35
▸ LNPEP Q9UIQ6 5/20 0.35
▸ ERAP2 Q6P179 3/20 0.35
▸ ERAP1 Q9NZ08 2/20 0.35
▸ PPARA Q07869 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 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
SCHEMBL5018552 0.88 S1PR1 (0.42) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL5018560 0.85 NPC1 (0.36) LMNAL3MBTL1MEN1KMT2ALNPEP
SCHEMBL5018298 0.83 KMT2A (0.49) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL5018175 0.83 LNPEP (0.40) HDAC8LNPEPERAP2ERAP1
SCHEMBL5018330 0.82 SLC1A5 (0.45) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5018362 0.82 TDP1 (0.42) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL5018207 0.82 ALDH1A1 (0.41) LMNAMAPTKMT2AHDAC8METAP2
SCHEMBL5018382 0.82 UBE2M (0.37) MEN1KMT2AMETAP2LNPEPERAP2
SCHEMBL5018151 0.81 LMNA (0.47) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL5018315 0.81 XIAP (0.49) SLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 — — US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 — — US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 — — 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CHRM1 4884/4885LMNA 3488/4885L3MBTL1 1868/4885

“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.