SCHEMBL2548878

SCHEMBL2548878

CCC(=NNc1ccccc1)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 6/20 0.41
ESR2 Q92731 1/20 0.41
GPR27 Q9NS67 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 4/20 0.40
HTT P42858 1/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2548875 1.00 ALDH1A1 (0.41) ALDH1A1MAPTGAAESR2GPR27
SCHEMBL2549052 1.00 ALDH1A1 (0.41) ALDH1A1MAPTGAAESR2GPR27
SCHEMBL2545167 0.82 MAPT (0.45) ALDH1A1MAPTGAAGPR27LMNA
SCHEMBL2545161 0.82 MAPT (0.45) ALDH1A1MAPTGAAGPR27LMNA
SCHEMBL2545164 0.82 MAPT (0.45) ALDH1A1MAPTGAAGPR27LMNA
SCHEMBL27520135 0.73 SLC6A4 (0.52) ALDH1A1MAPTGAALMNASMN1; SMN2
SCHEMBL31213370 0.71 MAPT (0.68) ALDH1A1MAPTGAAESR2LMNA
SCHEMBL14400141 0.68 KMT2A (0.46) ALDH1A1MAPTGAAESR2LMNA
SCHEMBL14371214 0.67 ALDH1A1 (0.44) ALDH1A1MAPTGAAESR2LMNA
SCHEMBL153069 0.66 DGAT1 (0.59) ALDH1A1MAPTGAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US disclosed
EP-2560962-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS Janssen Pharmaceutica NV (BE) 2013-02-27 EP disclosed
WO-2011133750-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-10-27 WO disclosed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 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 (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-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR ALDH1A1 1451/4885MAPT 3163/4885GAA 366/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR ALDH1A1 1451/4885MAPT 3163/4885GAA 366/4885

“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.