SCHEMBL2044836

SCHEMBL2044836

ONc1ccccc1OC(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX12 P18054 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
SLC22A12 Q96S37 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43
ULK1 O75385 1/20 0.42

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
SCHEMBL9230833 0.79 KMT2A (0.51) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL29666377 0.79 KMT2A (0.51) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL17839656 0.79 KMT2A (0.51) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL4654255 0.77 DRD1 (0.48) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL11918910 0.76 ALDH1A1 (0.58) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL10310198 0.76 KMT2A (0.56) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL12845223 0.76 KMT2A (0.65) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL7710363 0.75 TSHR (0.56) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL21966132 0.75 ALOX12 (0.52) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1
SCHEMBL11915498 0.75 KMT2A (0.47) KMT2AHTTSMN1; SMN2ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 KMT2A 1278/4885HTT 1251/4885SMN1; SMN2 3938/4885

“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.