SCHEMBL16832575

SCHEMBL16832575

NC(=O)c1cc(C(=O)O)c2cc(Br)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.56
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
GRM2 Q14416 1/20 0.52
PPARG P37231 4/20 0.52
NCOR2 Q9Y618 4/20 0.52
DHODH Q02127 3/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
RECQL P46063 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ESR1 P03372 1/20 0.52
PLA2G1B P04054 1/20 0.52

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
SCHEMBL13919569 0.89 RXFP1 (0.57) RXFP1KMT2AALDH1A1MEN1NPC1
SCHEMBL30120604 0.89 RXFP1 (0.57) RXFP1KMT2AALDH1A1MEN1NPC1
SCHEMBL16833047 0.84 L3MBTL1 (0.67) RXFP1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16832263 0.81 PTGES (0.60) KMT2AALDH1A1KDM4EGRM2DHODH
SCHEMBL16832220 0.81 DHODH (0.56) RXFP1KMT2AALDH1A1MEN1GAA
SCHEMBL16833045 0.81 ALDH1A1 (0.58) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL11669167 0.81 ALDH1A1 (0.71) RXFP1KMT2AALDH1A1MEN1NPC1
SCHEMBL28100530 0.81 ALDH1A1 (0.64) RXFP1KMT2AALDH1A1MEN1NPC1
SCHEMBL5015458 0.79 RXFP1 (0.57) RXFP1KMT2AALDH1A1MEN1NPC1
SCHEMBL16832253 0.79 KDM4E (0.58) KMT2AMEN1NPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
WO-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
WO-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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 (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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 RXFP1 2852/4885KMT2A 3367/4885ALDH1A1 432/4885

“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.