SCHEMBL9895445

SCHEMBL9895445

CN(C)CCNC(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.47
ADCY6 O43306 4/20 0.47
ADCY3 O60266 4/20 0.47
ADCY9 O60503 4/20 0.47
ADCY5 O95622 4/20 0.47
ADCY8 P40145 4/20 0.47
ADCY7 P51828 4/20 0.47
ADCY2 Q08462 4/20 0.47
ADCY1 Q08828 4/20 0.47
ADCY4 Q8NFM4 4/20 0.47
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
GALK1 P51570 1/20 0.43
SCD O00767 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSS P25774 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL9896499 0.90 GCGR (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9896229 0.85 CSNK1D (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9897046 0.84 SCD (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9895328 0.83 CSNK1D (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9896694 0.81 GCGR (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL9894859 0.81 RAB9A (0.46) TP53LMNAGALK1SCDALDH1A1
SCHEMBL9896194 0.80 CSNK1D (0.47) TP53LMNAGALK1SCDHDAC6
SCHEMBL9895818 0.79 PTPN1 (0.45) TP53GALK1SCDSMN1; SMN2CTSS
SCHEMBL9895023 0.79 PTPN1 (0.45) TP53GALK1SCDSMN1; SMN2CTSS
SCHEMBL9894833 0.74 PTPN1 (0.43) TP53GALK1SCDSMN1; SMN2CTSS

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 GCGR 224/4885ADCY6 660/4885ADCY3 675/4885

“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.