SCHEMBL4984423

SCHEMBL4984423

NC(C(=O)NCCc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CNR1 P21554 1/20 0.58
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
KDM4A O75164 1/20 0.52
EPHX1 P07099 1/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MMP8 P22894 1/20 0.51
PLAAT5 Q96KN8 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50

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
SCHEMBL27812203 0.90 POLB (0.56) POLBCNR1KMT2AMMP8PLAAT5
SCHEMBL4987592 0.90 POLB (0.60) POLBKMT2APLAAT5PLAAT4
SCHEMBL4985404 0.90 SMN1; SMN2 (0.56) POLBCNR1
SCHEMBL27416313 0.86 CA1 (0.62) POLBCA12CA2CA9KMT2A
SCHEMBL27448741 0.85 SMN1; SMN2 (0.59) CNR1KMT2AMMP2
SCHEMBL11115744 0.84 POLB (0.50) POLBCNR1CA12CA2CA9
SCHEMBL13569363 0.83 CNR1 (0.81) POLBCNR1
SCHEMBL4220537 0.83 KMT2A (0.55) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL14861138 0.82 POLB (0.61) POLBCNR1CA12CA2CA9
SCHEMBL8621220 0.81 POLB (0.50) POLBCNR1CA12CA2CA9

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 6 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
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

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 POLB 904/4885CNR1 1317/4885CA12 4878/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 POLB 922/4885CNR1 974/4885CA12 4871/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 POLB 922/4885CNR1 974/4885CA12 4871/4885

“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.