SCHEMBL14716162

SCHEMBL14716162

O=C(O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(Cl)nc3c2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 2/20 0.35
KCNQ3 O43525 6/20 0.34
KCNQ2 O43526 6/20 0.34
KCNE1 P15382 5/20 0.34
KCNQ1 P51787 5/20 0.34
MEN1 O00255 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL14725553 0.86 CYP17A1 (0.39)
SCHEMBL14715962 0.86 HPGD (0.49) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL14716072 0.85 KMT2A (0.46) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL14716095 0.81 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKMT2AHDAC3
SCHEMBL28177217 0.81 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKMT2AKCNQ3
SCHEMBL14716086 0.80 BRAF (0.51)
SCHEMBL14757434 0.78 NPC1 (0.32) ALDH1A1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL27982016 0.76 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL28140582 0.76 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AKMT2AKCNQ3
SCHEMBL14829793 0.75 HSD17B1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2020-02-18 US disclosed
EP-2747767-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-02-20 EP disclosed
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2018-11-27 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 US disclosed
US-9572808-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2017-02-21 US disclosed
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2016-10-20 US disclosed
US-9295671-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2016-03-29 US disclosed
EP-2747767-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2014-07-02 EP disclosed
WO-2013032951-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-03-07 WO disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 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 (6 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-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 ALDH1A1 3012/4885NPC1 4412/4885RAB9A 1846/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 ALDH1A1 3012/4885NPC1 4412/4885RAB9A 1846/4885
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 ALDH1A1 3012/4885NPC1 4412/4885RAB9A 1846/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 ALDH1A1 3012/4885NPC1 4412/4885RAB9A 1846/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 ALDH1A1 3330/4885NPC1 4671/4885RAB9A 2163/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 ALDH1A1 2001/4885NPC1 2126/4885RAB9A 2310/4885

“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.