SCHEMBL712088

SCHEMBL712088

O=C(O)c1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HPSE Q9Y251 1/20 0.54
CBS P35520 1/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MITF O75030 1/20 0.51

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
SCHEMBL1875367 0.86 L3MBTL1 (0.73) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL20981664 0.85 L3MBTL1 (0.82) L3MBTL1NPC1RAB9APDK1PDK2
SCHEMBL7193391 0.85 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AALDH1A1PDK1
SCHEMBL10277409 0.85 L3MBTL1 (0.61) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL7824768 0.83 NPSR1 (0.78) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL3200467 0.82 MEN1 (0.53) L3MBTL1MEN1KMT2APOLBCA12
SCHEMBL7194329 0.80 RAB9A (0.56) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL23932088 0.80 KMT2A (0.66) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL4749812 0.80 NPC1 (0.80) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6622461 0.79 HDAC1 (0.71) L3MBTL1MEN1KMT2ANPC1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153645-B2 Use of analgesics to treat chronic pain using sodium channel modulators ALLERGAN, INC. (US) 2012-04-10 US disclosed
US-8124612-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2012-02-28 US disclosed
US-7767718-B2 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-08-03 US disclosed
US-7763651-B2 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-07-27 US disclosed
US-7728034-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-06-01 US disclosed
US-7705055-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2010-04-27 US disclosed
US-20060287399-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT EHRING GEORGE R 2006-12-21 US disclosed
US-20060287366-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT EHRING GEORGE R 2006-12-21 US disclosed
US-20060264503-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT EHRING GEORGE R 2006-11-23 US disclosed
US-7125908-B2 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-10-24 US disclosed
US-7060723-B2 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-06-13 US disclosed
EP-1658065-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN Allergan, Inc. (US) 2006-05-24 EP disclosed
US-20060106112-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-05-18 US disclosed
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. (US) 2006-05-18 US disclosed
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-10 US disclosed
WO-2005020982-A2 USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT TO TREAT NEUROLOGICAL DISORDERS AND PAIN ALLERGAN, INC. (US) 2005-03-10 WO disclosed
US-20050049287-A1 Treating pain using selective antagonists of persistent sodium current ALLERGAN, INC. 2005-03-03 US disclosed
US-6590123-B2 For cancer theapy MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY 2003-07-08 US disclosed
US-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same BEKESI GEORGE J (US) 2002-02-21 US disclosed
US-6294695-B1 HALOACETOAMIDOBENZOYLUREAS OR ETHYL HALOACETOAMIDOBENZOATES MOUNT SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF NEW YORK 2001-09-25 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 (8 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-20050049287-A1 Treating pain using selective antagonists of persistent sodium current KCNN3, KCNN2, SCN1B L3MBTL1 1338/4885MEN1 3787/4885KMT2A 2161/4885
US-20020022747-A1 Aminobenzoic acid derivatives having anti-tumorigenic activity, methods of making and using the same ABAT, DDC, GABBR2 L3MBTL1 759/4885MEN1 2692/4885KMT2A 914/4885
US-20050054695-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 L3MBTL1 636/4885MEN1 1200/4885KMT2A 2006/4885
US-20060106112-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 L3MBTL1 636/4885MEN1 1200/4885KMT2A 2006/4885
US-20060287366-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT KCNN3, KCNN2, SCN1B L3MBTL1 1338/4885MEN1 3787/4885KMT2A 2161/4885
US-20060264503-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT KCNN3, KCNN2, SCN1B L3MBTL1 1338/4885MEN1 3787/4885KMT2A 2161/4885
US-20060106103-A1 Treating neurological disorders using selective antagonists of persistent sodium current SCN1A, KCNN2, KCNN1 L3MBTL1 636/4885MEN1 1200/4885KMT2A 2006/4885
US-20060287399-A1 TREATING PAIN USING SELECTIVE ANTAGONISTS OF PERSISTENT SODIUM CURRENT KCNN3, KCNN2, SCN1B L3MBTL1 1338/4885MEN1 3787/4885KMT2A 2161/4885

“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.