SCHEMBL3081735

SCHEMBL3081735

NC(=O)c1ccc(NC(=O)c2ccc(F)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
P4HTM Q9NXG6 4/20 0.55
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
BCAT2 O15382 1/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
CXCR2 P25025 2/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL3096946 0.91 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMKMT2AMAPT
SCHEMBL3081741 0.88 POLB (0.64) KCNQ3KCNQ2P4HTMKDM1ARCOR1
SCHEMBL4727649 0.84 KCNQ3 (0.58) KCNQ3KCNQ2P4HTMKDM1ARCOR1
SCHEMBL3096639 0.84 KCNQ3 (0.52) KCNQ3KCNQ2P4HTMKMT2ARAB9A
SCHEMBL2514244 0.81 NNMT (0.61) KCNQ3KCNQ2KDM4ESMN1; SMN2
SCHEMBL30074590 0.81 NNMT (0.61) KCNQ3KCNQ2KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5009748 0.79 NNMT (0.59) KCNQ3KCNQ2KDM4ESMN1; SMN2
SCHEMBL13210699 0.79 KMT2A (0.73) KMT2AMAPTBCAT2RAB9ANPC1
SCHEMBL27583806 0.78 PTPN1 (0.73) KMT2AMAPTBCAT2RAB9ANPC1
SCHEMBL3076566 0.78 PTPN1 (0.73) KMT2AMAPTBCAT2RAB9ANPC1

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 KCNQ3 3210/4885KCNQ2 2606/4885P4HTM 1836/4885

“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.