SCHEMBL1668981

SCHEMBL1668981

O=CN(Cc1ccc(F)cc1)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
RAB9A P51151 1/20 0.39
RIPK1 Q13546 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BCL2A1 Q16548 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1669034 0.79 KCNQ4 (0.47) MEN1KMT2ARIPK1L3MBTL1
SCHEMBL7609127 0.70 ALDH1A1 (0.50) TDP1TAS2R14RIPK1ALDH1A1L3MBTL1
SCHEMBL7965956 0.69 SMN1; SMN2 (0.46) TDP1RIPK1KDM4EALDH1A1L3MBTL1
SCHEMBL5542200 0.68 KCNA5 (0.50) TDP1MEN1KMT2ATAS2R14RAB9A
SCHEMBL2441712 0.67 MEP1B (0.49) TDP1MEN1KMT2ATAS2R14RAB9A
SCHEMBL1669089 0.67 LOXL2 (0.43) RIPK1ALDH1A1BCL2A1
SCHEMBL17542506 0.67 HDAC3 (0.47) TDP1TAS2R14RIPK1
SCHEMBL5537402 0.67 PYCR1 (0.47) TDP1MEN1KMT2ARIPK1ALDH1A1
SCHEMBL28842786 0.67 ADH1B (0.47) TDP1MEN1KMT2ARAB9AALDH1A1
SCHEMBL7088444 0.67 TDP1 (0.41) TDP1TAS2R14RIPK1ALDH1A1L3MBTL1

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-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 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 (1 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG TDP1 8/4885MEN1 4650/4885KMT2A 1339/4885

“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.