SCHEMBL874481

SCHEMBL874481

O=c1c2cnccc2oc2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
PIM1 P11309 2/20 0.45
TBK1 Q9UHD2 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
GFER P55789 1/20 0.43
PTPN1 P18031 1/20 0.42
CDC7 O00311 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PIM3 Q86V86 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL30593476 0.89 KMT2A (0.55) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL28458382 0.89 KMT2A (0.55) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL7705022 0.86 KMT2A (0.55) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL2588529 0.84 PIM1 (0.58) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL29416622 0.84 PIM1 (0.58) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL25625940 0.81 KMT2A (0.64) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL10237797 0.81 MAPT (0.47) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL15631616 0.78 CHUK (0.47) KMT2AALDH1A1HPGDTSHRPIM1
SCHEMBL30593469 0.78 PIM1 (0.51) KMT2AALDH1A1HPGDPIM1TBK1
SCHEMBL47040 0.78 PIM1 (0.51) KMT2AALDH1A1HPGDPIM1TBK1

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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 (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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 KMT2A 4037/4885ALDH1A1 2346/4885HPGD 1141/4885
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 KMT2A 4037/4885ALDH1A1 2346/4885HPGD 1141/4885

“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.