SCHEMBL4945097

SCHEMBL4945097

NC(=O)c1nc2ccccc2cc1NC(=O)[CH]Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.36
IKBKB O14920 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 2/20 0.36
GRM2 Q14416 1/20 0.36
STAT3 P40763 1/20 0.36
ALOX5 P09917 1/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IDO1 P14902 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL4949518 0.91 ALDH1A1 (0.39) HTTSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4945845 0.89 HTT (0.40) HTTSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4951752 0.80 SMN1; SMN2 (0.40) HTTSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4949430 0.73 MCHR1 (0.40) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL29993754 0.70 HTT (0.40) HTTSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5184418 0.68 KDR (0.59) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL31674405 0.68 IKBKB (0.53) SMN1; SMN2MAPTALDH1A1KDM4EGAA
SCHEMBL5184303 0.67 RAB9A (0.47) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL3515481 0.66 IKBKB (0.54) SMN1; SMN2MAPTALDH1A1KDM4EGAA
SCHEMBL3139984 0.66 F2 (0.35) MAPTALDH1A1LMNAKDM4EPOLB

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 2 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
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 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 (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 4453/4885MAPT 4181/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 HTT 3773/4885SMN1; SMN2 4838/4885MAPT 4102/4885

“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.