SCHEMBL4823231

SCHEMBL4823231

COC(=O)c1ccc2c(-c3ccccc3)c3n(c2c1)Cc1ccccc1-3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 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
SCHEMBL772588 0.89 MTNR1A (0.43) ALDH1A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL772287 0.87 SRD5A2 (0.43) ALDH1A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL4823223 0.80 NR1I2 (0.47) ALDH1A1MAPK1LMNAMTNR1AMTNR1B
SCHEMBL14435335 0.78 MTNR1A (0.44) ALDH1A1MAPK1LMNAMTNR1AMTNR1B
SCHEMBL772131 0.76 SRD5A2 (0.47) ALDH1A1MTNR1AMTNR1BKMT2AKDM4E
SCHEMBL3242890 0.76 MEN1 (0.42) ALDH1A1LMNAMEN1KMT2APTGS2
SCHEMBL394064 0.72 NR1I2 (0.43) ALDH1A1MAPK1LMNAHPGDKDM4E
SCHEMBL12429623 0.71 SCN9A (0.43) ALDH1A1MAPK1LMNACYP3A4NPSR1
SCHEMBL2284171 0.70 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2APTGS2
SCHEMBL9343968 0.70 GABRG2 (0.55) ALDH1A1MAPK1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 ALDH1A1 920/4885MAPK1 2349/4885LMNA 3453/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 ALDH1A1 920/4885MAPK1 2349/4885LMNA 3453/4885

“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.