Sugi Predict

Sugi Predict / Compounds / SCHEMBL5019032

SCHEMBL5019032

SCHEMBL5019032

N[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPT P10636 5/20 0.56
▸ HTT P42858 3/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ RXFP1 Q9HBX9 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ HPGD P15428 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GRIK1 P39086 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5019122 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL13365288 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL21880131 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL21880132 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL5023724 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL10180792 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL13299220 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL5024429 0.83 PSMB5 (0.47) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL15143051 0.83 LTA4H (0.56) ALDH1A1SMN1; SMN2MAPTHTTRAB9A
SCHEMBL964298 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP1A2POLB

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 MEN1 4473/4885KMT2A 3928/4885ALDH1A1 4062/4885

“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.