SCHEMBL3460045

SCHEMBL3460045

O=C(NCc1ccc(Cl)cc1F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
NLRP1 Q9C000 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
AKR1B1 P15121 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ROCK2 O75116 2/20 0.50
MAPT P10636 1/20 0.50
ROCK1 Q13464 1/20 0.50
TSHR P16473 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
TTR P02766 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3460904 0.85 EPHX2 (0.57) EPHX2NR1H4HPGDALDH1A1AKR1B1
SCHEMBL5646507 0.85 LMNA (0.70) EPHX2NR1H4LMNAMAPK1NLRP1
SCHEMBL13401185 0.83 ROCK2 (0.47) EPHX2NR1H4LMNAMAPK1NLRP1
SCHEMBL3883601 0.83 ERCC1 (0.54) EPHX2NR1H4MAPK1ALDH1A1AKR1B1
SCHEMBL18067725 0.82 HPGD (0.59) EPHX2NR1H4LMNAHPGDALDH1A1
SCHEMBL26697130 0.82 AKR1B1 (0.62) EPHX2NR1H4HPGDALDH1A1AKR1B1
SCHEMBL3461761 0.82 SMN1; SMN2 (0.60) EPHX2LMNAMAPK1NLRP1HPGD
SCHEMBL2914008 0.81 HPGD (0.65) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL5724332 0.81 ERCC1 (0.57) LMNAMAPK1NLRP1HPGDALDH1A1
SCHEMBL5643080 0.79 SMN1; SMN2 (0.57) EPHX2NR1H4LMNAMAPK1NLRP1

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
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 EPHX2 3588/4885NR1H4 4011/4885LMNA 3773/4885

“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.