SCHEMBL4947375

SCHEMBL4947375

NC(=O)c1c(C[CH]C(=O)Nc2cnc3ccccc3c2)cc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KDR P35968 3/20 0.44
RAB9A P51151 8/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 5/20 0.43
BRAF P15056 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL4945057 0.87 ALDH1A1 (0.50) RAB9APOLBHSD17B10TSHRKDM4E
SCHEMBL5184303 0.82 RAB9A (0.47) NPSR1KDRRAB9APOLBLMNA
SCHEMBL5183675 0.81 NPSR1 (0.51) NPSR1KDRRAB9APOLBLMNA
SCHEMBL4950433 0.77 CNR1 (0.50) NPSR1KDRRAB9APOLBLMNA
SCHEMBL5184418 0.76 KDR (0.59) NPSR1KDRRAB9APOLBLMNA
SCHEMBL5185017 0.74 RAB9A (0.46) NPSR1KDRRAB9APOLBLMNA
SCHEMBL5184813 0.73 NPSR1 (0.49) NPSR1KDRRAB9APOLBLMNA
SCHEMBL4243618 0.72 PTGES (0.37)
SCHEMBL5185045 0.70 NPC1 (0.49) RAB9APOLBLMNAHSD17B10TSHR
SCHEMBL3994400 0.70 NPSR1 (0.71) NPSR1KDRRAB9APOLBLMNA

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 NPSR1 4395/4885KDR 4532/4885RAB9A 534/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 NPSR1 4172/4885KDR 4598/4885RAB9A 463/4885

“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.