SCHEMBL5464650

SCHEMBL5464650

O=c1c(-c2noc(Cc3ccccc3)n2)cn(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
RXFP1 Q9HBX9 2/20 0.45
PLA2G2A P14555 1/20 0.45
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5353654 0.87 LMNA (0.55) SMN1; SMN2PLA2G2AMAPK1RAB9AKMT2A
SCHEMBL5353454 0.84 KMT2A (0.52) SMN1; SMN2RXFP1MAPK1RAB9AKMT2A
SCHEMBL5355725 0.81 PDE4A (0.42) SMN1; SMN2RAB9ACNR2ALDH1A1
SCHEMBL5361674 0.79 SMN1; SMN2 (0.44) SMN1; SMN2RXFP1PLA2G2AESR1MAPT
SCHEMBL5364349 0.79 TOP1 (0.47) RXFP1MAPK1MAPTLMNAALDH1A1
SCHEMBL5355775 0.78 THRB (0.45) RXFP1MAPK1MAPTLMNAALDH1A1
SCHEMBL5367673 0.78 THRB (0.45) RXFP1MAPK1MAPTLMNAALDH1A1
SCHEMBL5357552 0.77 PIK3CG (0.44) SMN1; SMN2RXFP1MAPK1KMT2AMAPT
SCHEMBL5357868 0.77 MAPK1 (0.52) SMN1; SMN2MAPK1RAB9AKMT2ATDP1
SCHEMBL5461262 0.73 AKR1B1 (0.38) RXFP1KMT2AMAPTALDH1A1

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-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SMN1; SMN2 2454/4885RXFP1 4526/4885PLA2G2A 3863/4885

“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.