Sugi Predict

Sugi Predict / Compounds / SCHEMBL4945845

SCHEMBL4945845

SCHEMBL4945845

NC(=O)c1nc2ccccc2cc1NC(=O)[CH]CCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NR3C2 P08235 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ FAAH O00519 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
SCHEMBL4951752 0.91 SMN1; SMN2 (0.40) HTTSMN1; SMN2NR3C2MAPTALDH1A1
SCHEMBL4945097 0.89 HTT (0.42) HTTSMN1; SMN2CNR1CNR2MAPT
SCHEMBL4949518 0.80 ALDH1A1 (0.39) HTTSMN1; SMN2MAPTALDH1A1GAA
SCHEMBL4952890 0.74 MCHR1 (0.41) MAPTLMNAALDH1A1KDM4ENPC1
SCHEMBL4952246 0.74 ACHE (0.41) SMN1; SMN2NR3C2MAPTALDH1A1KDM4E
SCHEMBL4952880 0.74 HCAR2 (0.38) HTTSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL5227510 0.69 RAB9A (0.58) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL4945042 0.68 SIRT2 (0.40) SMN1; SMN2NR3C2MAPTLMNAALDH1A1
SCHEMBL29993754 0.68 HTT (0.40) HTTSMN1; SMN2CNR1CNR2MAPT
SCHEMBL5185017 0.68 RAB9A (0.46) SMN1; SMN2CNR1CNR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 — — US disclosed
EP-1758920-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2007-03-07 — — EP disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 — — US disclosed
WO-2005113579-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2005-12-01 — — 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 (2 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 HTT 2396/4885SMN1; SMN2 4453/4885NR3C2 3258/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 HTT 3773/4885SMN1; SMN2 4838/4885NR3C2 3853/4885

“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.