SCHEMBL19835809

SCHEMBL19835809

O=C1c2ccccc2C(=O)N1Cc1cnc(Cl)c(-c2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
UBE2N P61088 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GRM5 P41594 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL19835651 0.90 CASP3 (0.46) CASP3ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL19835276 0.90 CASP3 (0.51) CASP3ALDH1A1HPGDMEN1GAA
SCHEMBL19835248 0.89 CASP3 (0.44) CASP3ADRA1DADRA1AADRA1BLMNA
SCHEMBL19835813 0.87 CHRM5 (0.48) CASP3ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL19835653 0.86 CASP3 (0.51) CASP3CYP1A2CYP2C19LMNA
SCHEMBL19835808 0.86 CASP3 (0.51) CASP3CYP1A2CYP2C19LMNA
SCHEMBL19835274 0.84 AR (0.47) CASP3ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL19835387 0.84 CASP3 (0.58) CASP3ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL19835831 0.84 CHRM5 (0.50)
SCHEMBL19835501 0.82 KMT2A (0.52) CASP3LMNAALDH1A1HPGDL3MBTL1

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-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 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 (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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 CASP3 568/4885CYP1A2 920/4885CYP2C19 1571/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 CASP3 568/4885CYP1A2 920/4885CYP2C19 1571/4885

“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.