SCHEMBL7380732

SCHEMBL7380732

COCOc1ccc2ccccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.56
PRNP P04156 5/20 0.50
RXFP1 Q9HBX9 4/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 4/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
MAPT P10636 4/20 0.49
NCEH1 Q6PIU2 4/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ADRB2 P07550 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL29937151 1.00 SMN1; SMN2 (0.56) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL29625686 0.83 PRNP (0.50) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL23515145 0.83 PRNP (0.50) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL26622001 0.82 RAB9A (0.55) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL29820187 0.82 MAPT (0.63) SMN1; SMN2HPGDRAB9AMAPTALDH1A1
SCHEMBL1446528 0.82 MAPT (0.63) SMN1; SMN2HPGDRAB9AMAPTALDH1A1
SCHEMBL15287590 0.81 SMN1; SMN2 (0.36) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL12745123 0.81 MAPT (0.58) SMN1; SMN2HPGDPRNPRXFP1LMNA
SCHEMBL15285233 0.81 MAPT (0.47) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL8731312 0.81 NCEH1 (0.47) SMN1; SMN2HPGDRAB9AMAPK1CASP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
EP-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 US disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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 (3 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG SMN1; SMN2 4810/4885HPGD 392/4885PRNP 419/4885
US-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS SMN1; SMN2 4385/4885HPGD 1741/4885PRNP 4718/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMN1; SMN2 4385/4885HPGD 1741/4885PRNP 4718/4885

“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.