SCHEMBL267936

SCHEMBL267936

Cc1c(C(=O)Nc2sc(Br)cc2C(=O)NN)cccc1N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.35
CNR2 P34972 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 8/20 0.34
GAA P10253 2/20 0.34
GFER P55789 2/20 0.34
KDM4E B2RXH2 5/20 0.33
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL267344 0.74 NPC1 (0.44) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL962276 0.68 ALDH1A1 (0.62) CNR2P2RX7MAPTGAAKDM4E
SCHEMBL18190399 0.67 P2RX7 (0.50) P2RX7MAPTGAAKDM4EALDH1A1
SCHEMBL25216490 0.66 GAA (0.46) P2RX7MAPTGAAGFERKDM4E
SCHEMBL13451052 0.65 GAA (0.52) CNR2MAPTGAAKDM4EALDH1A1
SCHEMBL668153 0.63 P2RX7 (0.53) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL2425674 0.63 ALDH1A1 (0.53) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL6999373 0.63 ALDH1A1 (0.65) MAPTGFERKDM4EALDH1A1HPGD
SCHEMBL30505253 0.63 STAT3 (0.67) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL9190322 0.63 TSHR (0.48) CNR2MAPTGAAKDM4EALDH1A1

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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 CHEK1 4853/4885CNR2 1412/4885P2RX7 190/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 CHEK1 4775/4885CNR2 924/4885P2RX7 114/4885

“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.