SCHEMBL4985404

SCHEMBL4985404

NC(C(=O)NCCc1ccncc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49
HIF1A Q16665 3/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL4984423 0.90 POLB (0.63) POLBCNR1
SCHEMBL3502633 0.83 RAB9A (0.56) SMN1; SMN2RAB9APOLBROCK2ROCK1
SCHEMBL4987592 0.83 POLB (0.60) RAB9APOLBALDH1A1NPC1
SCHEMBL27812203 0.83 POLB (0.56) RAB9APOLBCNR1NPC1
SCHEMBL5664960 0.82 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AALDH1A1HIF1AROCK2
SCHEMBL15162469 0.82 SMN1; SMN2 (0.55) SMN1; SMN2RAB9APOLBALDH1A1GAA
SCHEMBL13073337 0.82 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AALDH1A1ROCK2ROCK1
SCHEMBL27416313 0.80 CA1 (0.62) SMN1; SMN2POLBGAA
SCHEMBL4986522 0.79 HTT (0.56) SMN1; SMN2RAB9AALDH1A1LMNACNR1
SCHEMBL27448741 0.79 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AALDH1A1LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN SMN1; SMN2 3429/4885RAB9A 1687/4885POLB 904/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 SMN1; SMN2 3878/4885RAB9A 2095/4885POLB 922/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 SMN1; SMN2 3878/4885RAB9A 2095/4885POLB 922/4885

“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.