SCHEMBL2854477

SCHEMBL2854477

O=C(Cc1ccncc1)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 1/20 0.61
P2RX7 Q99572 3/20 0.56
TSHR P16473 2/20 0.55
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
LMNA P02545 3/20 0.53
NPY5R Q15761 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HSD17B2 P37059 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49

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
SCHEMBL22307426 0.94 MAPT (0.61) MAPTALDH1A1GAAP2RX7TSHR
SCHEMBL13683247 0.88 TSHR (0.65) ALDH1A1P2RX7TSHRERCC1ERCC4
SCHEMBL2857168 0.83 ERCC1 (0.70) MAPTALDH1A1GAAP2RX7ERCC1
SCHEMBL22307425 0.82 HSD17B2 (0.51) MAPTGAAP2RX7TSHRTRPV1
SCHEMBL22307424 0.81 HSD17B2 (0.53) GAAP2RX7TSHRERCC1ERCC4
SCHEMBL11305715 0.81 TSHR (0.69) ALDH1A1P2RX7TSHRLMNATRPV1
SCHEMBL22307433 0.81 GAA (0.66) MAPTALDH1A1GAAERCC1ERCC4
SCHEMBL22307418 0.80 LOXL2 (0.47) MAPTP2RX7TSHRTRPV1CA1
SCHEMBL22307413 0.78 KDM4E (0.57) MAPTP2RX7TSHRTRPV1CA1
SCHEMBL2856152 0.78 POLB (0.57) MAPTALDH1A1P2RX7TSHRERCC1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 MAPT 3590/4885ALDH1A1 3589/4885GAA 4722/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 MAPT 3590/4885ALDH1A1 3589/4885GAA 4722/4885

“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.