SCHEMBL28057

SCHEMBL28057

O=[N+]([O-])c1ccc(N2CCC(CCn3cccn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 6/20 0.46
SIRT6 Q8N6T7 2/20 0.46
POLB P06746 3/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB1 P08588 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL27513 0.84 HPGDS (0.52) HPGDSHRH3MEN1KMT2AMAPT
SCHEMBL28761 0.82 HPGDS (0.54) HPGDSMEN1KMT2AMAPTPOLB
SCHEMBL28704 0.81 HRH3 (0.52) HPGDSHRH3MEN1KMT2AMAPT
SCHEMBL27845129 0.79 MAPT (0.39) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL25189631 0.79 MEN1 (0.60) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL28689 0.77 HPGDS (0.52) HPGDSHRH3MEN1KMT2AMAPT
SCHEMBL25189146 0.76 MEN1 (0.57) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL25175455 0.76 MAPT (0.55) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL29104 0.76 MAPT (0.56) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL27718 0.76 KMT2A (0.56) HPGDSHRH3MEN1KMT2AMAPT

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
EP-2407466-B1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
CN-102341385-B Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2014-01-15 CN disclosed
CN-102341385-A Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2012-02-01 CN disclosed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 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 (2 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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 HPGDS 9/4885HRH3 420/4885MEN1 3950/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885HRH3 410/4885MEN1 4191/4885

“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.