SCHEMBL3081741

SCHEMBL3081741

Nc1ccc(NC(=O)c2ccc(F)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
PKM P14618 1/20 0.64
APEX1 P27695 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
PTGS1 P23219 2/20 0.56
P4HTM Q9NXG6 4/20 0.55
MAPT P10636 1/20 0.54
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL3096952 0.91 KCNQ3 (0.67) POLBMEN1LMNAPKMAPEX1
SCHEMBL3081735 0.88 KCNQ3 (0.58) MEN1KMT2AKCNQ3KCNQ2P4HTM
SCHEMBL4727649 0.84 KCNQ3 (0.58) MEN1KMT2AKCNQ3KCNQ2P4HTM
SCHEMBL21662065 0.84 ALDH1A1 (0.71) POLBMEN1LMNAPKMAPEX1
SCHEMBL13850133 0.84 POLB (0.68) POLBMEN1LMNAPKMAPEX1
SCHEMBL3096642 0.82 PTGS1 (0.60) POLBMEN1LMNAKMT2AKCNQ3
SCHEMBL137276 0.79 POLB (1.00) POLBMEN1LMNAPKMAPEX1
SCHEMBL2128727 0.79 POLB (1.00) POLBMEN1LMNAPKMAPEX1
SCHEMBL30319980 0.79 POLB (1.00) POLBMEN1LMNAPKMAPEX1
SCHEMBL1353478 0.79 POLB (1.00) POLBMEN1LMNAPKMAPEX1

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS POLB 760/4885MEN1 4230/4885LMNA 1934/4885

“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.