SCHEMBL9963648

SCHEMBL9963648

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NCC(=O)N3CCC(N(C)CCN(C)C)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
TP53 P04637 1/20 0.35
FABP4 P15090 1/20 0.34
ACHE P22303 2/20 0.34
P2RX7 Q99572 2/20 0.34
LMNA P02545 2/20 0.34
GRIN2B Q13224 1/20 0.33
F10 P00742 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BTK Q06187 2/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL9963577 0.89 PTGS2 (0.44) PTGS2TP53FABP4LMNAGAA
SCHEMBL9963632 0.85 PTGS2 (0.40) PTGS2ACHEP2RX7GRIN2BGAA
SCHEMBL9963588 0.84 ACHE (0.46) PTGS2FABP4ACHEP2RX7GRIN2B
SCHEMBL9963581 0.83 PTGS2 (0.42) PTGS2FABP4ACHEP2RX7GRIN2B
SCHEMBL9963572 0.82 TP53 (0.51) PTGS2TP53ACHEGRIN2BGAA
SCHEMBL9963583 0.82 PTGS2 (0.42) PTGS2TP53FABP4LMNAGAA
SCHEMBL9963594 0.82 PTGS2 (0.41) PTGS2TP53FABP4ACHEP2RX7
SCHEMBL9963539 0.82 PTGS2 (0.43) PTGS2FABP4LMNAGAAALDH1A1
SCHEMBL9963695 0.82 PTGS2 (0.49) PTGS2FABP4GAAALDH1A1RAB9A
SCHEMBL9963570 0.82 PTGS2 (0.41) PTGS2ACHEP2RX7LMNAGRIN2B

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-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885TP53 107/4885FABP4 1794/4885

“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.