SCHEMBL12620004

SCHEMBL12620004

BCC(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
CYP3A4 P08684 1/20 0.44
DHODH Q02127 2/20 0.43
CBX7 O95931 2/20 0.43
CDYL Q9Y232 2/20 0.43
CDY1; CDY1B Q9Y6F8 2/20 0.43
CDYL2 Q8N8U2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 2/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 3/20 0.40
KDM2B Q8NHM5 2/20 0.40
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL203507 0.83 PTPN1 (0.70) PTPN1CYP3A4DHODHCBX7CDYL
SCHEMBL27870931 0.81 SMN1; SMN2 (0.50) PTPN1CYP3A4DHODHCBX7CDYL
SCHEMBL2479753 0.81 PTPN1 (0.49) PTPN1CYP3A4DHODHCBX7CDYL
SCHEMBL1054478 0.81 GSK3B (0.52) PTPN1CYP3A4DHODHCBX7CDYL
SCHEMBL13566598 0.81 PTPN1 (0.67) PTPN1CYP3A4CBX7CDYLCDY1; CDY1B
SCHEMBL8751033 0.80 GSK3B (0.64) NPC1RAB9AGSK3BKDM4EHPGD
SCHEMBL12521014 0.79 PTPN1 (0.46) PTPN1CYP3A4SMN1; SMN2NPC1ALDH1A1
SCHEMBL264367 0.79 CYP2A6 (0.55) DHODHNPC1ALDH1A1RAB9ACYP2A6
SCHEMBL30350490 0.79 CYP2A6 (0.55) DHODHNPC1ALDH1A1RAB9ACYP2A6
SCHEMBL12647724 0.78 PTPN1 (0.44) PTPN1CYP3A4SMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 PTPN1 2999/4885CYP3A4 1292/4885DHODH 2830/4885

“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.