SCHEMBL3094035

SCHEMBL3094035

Nc1ccc(C(=O)Nc2ccc(F)nc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
P4HTM Q9NXG6 1/20 0.48
CYP11B2 P19099 2/20 0.46
SNCA P37840 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC1 Q13547 2/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
CYP11B1 P15538 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BLK P51451 1/20 0.43

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
SCHEMBL28747395 0.84 LMNA (0.61) SNCANPC1RAB9AALDH1A1TDP1
SCHEMBL3094028 0.84 KCNQ3 (0.65) KCNQ3KCNQ2P4HTMCYP11B2SNCA
SCHEMBL3096952 0.80 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMCYP11B2NPC1
SCHEMBL25395905 0.78 HDAC1 (0.56) SNCANPC1RAB9AALDH1A1TDP1
SCHEMBL677811 0.78 SNCA (0.67) SNCANPC1RAB9AALDH1A1TDP1
SCHEMBL30152289 0.74 NPC1 (0.55) NPC1RAB9AALDH1A1HDAC1KMT2A
SCHEMBL24969084 0.74 NPC1 (0.55) NPC1RAB9AALDH1A1HDAC1KMT2A
SCHEMBL25394327 0.74 HDAC1 (0.52) NPC1RAB9AMAPK1HDAC1KMT2A
SCHEMBL3081741 0.74 POLB (0.64) KCNQ3KCNQ2P4HTMSNCANPC1
SCHEMBL21118349 0.73 PTPN1 (0.61) KCNQ3KCNQ2P4HTMNPC1RAB9A

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.