SCHEMBL4950199

SCHEMBL4950199

NC(=O)c1ccccc1CC[CH]C(=O)Nc1cnc2ccc(F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT1 P17948 1/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSF1R P07333 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5184813 0.90 NPSR1 (0.49) KDRNPSR1FLT1LMNAKDM4E
SCHEMBL4952020 0.89 CNR1 (0.41) KDRCNR2CNR1CSF1RHDAC4
SCHEMBL5185017 0.88 RAB9A (0.46) KDRCNR2CNR1NPSR1LMNA
SCHEMBL4950035 0.86 KDR (0.43) KDRNPSR1FLT1LMNAKDM4E
SCHEMBL5226513 0.83 RAB9A (0.46) KDRCNR2CNR1LMNAKDM4E
SCHEMBL5184705 0.82 NPC1 (0.51) ALDH1A1MAPTPOLBTSHRRAB9A
SCHEMBL4949892 0.79 CNR1 (0.49) KDRCNR2CNR1NPSR1LMNA
SCHEMBL5183675 0.79 NPSR1 (0.51) KDRNPSR1FLT1LMNAKDM4E
SCHEMBL5185052 0.78 KDM4E (0.48) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL5184303 0.78 RAB9A (0.47) KDRCNR2CNR1NPSR1LMNA

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 KDR 4532/4885JAK2 4344/4885JAK1 4819/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 KDR 4598/4885JAK2 4568/4885JAK1 4753/4885

“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.