SCHEMBL1992477

SCHEMBL1992477

Cc1ccc(NNBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 2/20 0.41
HTT P42858 3/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39

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
Hydrochloric Acid SCHEMBL7808105 0.97 MAPT (0.44) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL2683360 0.82 TDP1 (0.57) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL1702141 0.80 MAPT (0.48) MAPTTDP1HPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL1408051 0.78 MAPT (0.46) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL11364809 0.77
SCHEMBL2460051 0.74 CYP2A6 (0.47) MAPTTDP1ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL28872744 0.74 MAPT (0.48) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL2137903 0.72 MAPT (0.46) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL21465958 0.72 HPGD (0.71) MAPTTDP1HPGDALDH1A1CYP1A2
SCHEMBL5360766 0.72 LMNA (0.40) MAPTTDP1HPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 WO disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 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 (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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 MAPT 4672/4885TDP1 4874/4885HPGD 431/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 MAPT 4755/4885TDP1 4873/4885HPGD 432/4885

“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.