SCHEMBL4439447

SCHEMBL4439447

Cc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 2/20 0.46
NHERF1 O14745 1/20 0.45
EPAS1 Q99814 1/20 0.45
MCL1 Q07820 1/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE7A Q13946 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
NPBWR1 P48145 1/20 0.41
TBXA2R P21731 2/20 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
SCHEMBL4445114 0.92 ALDH1A1 (0.53) TDP1ALDH1A1TSHRLMNAPOLB
SCHEMBL4442336 0.92 LMNA (0.58) TDP1ALDH1A1TSHRLMNAPOLB
SCHEMBL11159166 0.88 PDE7A (0.52) TDP1ALDH1A1TSHRLMNAPOLB
SCHEMBL9185260 0.86 ALDH1A1 (0.64) TDP1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL28325585 0.84 PDE7A (0.57) TDP1ALDH1A1TSHRLMNAPOLB
SCHEMBL11728148 0.82 ALDH1A1 (0.64) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL22966296 0.81 TBXA2R (0.56) TDP1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL31448104 0.81 PDE7A (0.54) TDP1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL11096116 0.80 VCAM1 (0.54) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL22114316 0.79 HPGD (0.56) TDP1ALDH1A1TSHRLMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622227-A Biaryl and biheteroaryl compounds useful in treating iron disorders XENON PHARMACEUTICALS INC 2010-01-06 CN disclosed
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 TDP1 3382/4885ALDH1A1 844/4885TSHR 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.