SCHEMBL4445114

SCHEMBL4445114

Cc1ccc(Cl)cc1Oc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 3/20 0.49
MCL1 Q07820 1/20 0.48
HTT P42858 1/20 0.46
NHERF1 O14745 1/20 0.45
EPAS1 Q99814 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
KCNMA1 Q12791 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
NPBWR1 P48145 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 2/20 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
SCHEMBL4439447 0.92 TDP1 (0.53) ALDH1A1TDP1TSHRCYP3A4MCL1
SCHEMBL11728148 0.90 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL4442336 0.84 LMNA (0.58) ALDH1A1TDP1TSHRCYP3A4MCL1
SCHEMBL10424140 0.81 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL11159166 0.80 PDE7A (0.52) ALDH1A1TDP1TSHRCYP3A4MCL1
SCHEMBL265440 0.78 HTT (0.68) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL4058420 0.77 MAPT (0.60) ALDH1A1TDP1TSHRCYP3A4HTT
SCHEMBL4448437 0.77 ALDH1A1 (0.44) ALDH1A1TDP1HTTLMNASMN1; SMN2
SCHEMBL14089614 0.77 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHTTHSD17B10
SCHEMBL4965383 0.77 PDE7A (0.63) ALDH1A1TDP1TSHRCYP3A4LMNA

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-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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 (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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 ALDH1A1 844/4885TDP1 3382/4885TSHR 611/4885

“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.