SCHEMBL1817101

SCHEMBL1817101

Cc1cccc(C(=O)O)c1Nc1c(Br)c(C)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
P2RX7 Q99572 3/20 0.43
POLB P06746 1/20 0.43
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 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
SCHEMBL1817001 0.89 ADORA1 (0.48) POLBALDH1A1CYP2C9CYP3A4KMT2A
SCHEMBL1815547 0.86 KDM4E (0.42) SMN1; SMN2MAPTPOLBALDH1A1HPGD
SCHEMBL1818962 0.83 ADORA1 (0.42) POLBALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL1809503 0.83 ADORA1 (0.43) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1814347 0.83 TAS2R14 (0.45) POLBRIPK1
SCHEMBL1811983 0.82 ADORA1 (0.44) POLBKDM4EKMT2A
SCHEMBL1814786 0.81 KDM4E (0.42) MAPTP2RX7ALDH1A1CYP2C9KDM4E
SCHEMBL1810125 0.81 KDM4E (0.42) P2RX7POLBRIPK1KDM4EKMT2A
SCHEMBL1817098 0.76 TDP1 (0.52) SMN1; SMN2MAPTPOLBALDH1A1HPGD
SCHEMBL1819141 0.76 GFER (0.58) SMN1; SMN2MAPTALDH1A1HPGDLMNA

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-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT SMN1; SMN2 2155/4885MAPT 2724/4885P2RX7 473/4885

“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.