SCHEMBL5545652

SCHEMBL5545652

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
BRD4 O60885 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL5004713 0.88 LMNA (0.44) TRPM8BRD4POLBMEN1KMT2A
SCHEMBL5538920 0.86 KCNQ4 (0.47) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL4714790 0.86 BRD4 (0.47) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL5545753 0.84 LMNA (0.46) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL14072834 0.83 LMNA (0.40) TRPM8BRD4POLBMEN1KMT2A
SCHEMBL5538446 0.83 ALDH1A1 (0.40) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL5540936 0.82 KCNQ3 (0.41) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL5545678 0.82 MAPT (0.42) BRD4POLBMEN1KMT2AKDM4E
SCHEMBL5545527 0.82 LMNA (0.39) TRPM8BRD4POLBMEN1KMT2A
SCHEMBL4716961 0.80 PDE3B (0.46) TRPM8POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 HDAC4 379/4885HDAC6 1381/4885TRPM8 4066/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 HDAC4 793/4885HDAC6 2112/4885TRPM8 4541/4885

“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.