SCHEMBL5138997

SCHEMBL5138997

Clc1ccc(-c2onc3ccc(-c4c[nH]nc4-c4ccccn4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
IP6K1 Q92551 7/20 0.40
IP6K3 Q96PC2 5/20 0.40
IP6K2 Q9UHH9 5/20 0.40
CASP1 P29466 1/20 0.40
TGFBR1 P36897 1/20 0.38
NPC1 O15118 2/20 0.36

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
SCHEMBL5138429 0.88 MEN1 (0.50) PIM1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5139037 0.87 MEN1 (0.39) PIM1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5200816 0.85 IP6K1 (0.37) PIM1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL5138199 0.83 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL8489109 0.80 L3MBTL1 (0.44) SMN1; SMN2KDM4EPOLBLMNATGFBR1
SCHEMBL5930941 0.80 TGFBR1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL6178618 0.79 TGFBR1 (0.59) TGFBR1GRM5
SCHEMBL5188130 0.79 GRM5 (0.46) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL5138712 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL3854762 0.76 MEN1 (0.52) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 PIM1 10/4885ALDH1A1 45/4885SMN1; SMN2 3128/4885

“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.