SCHEMBL27718

SCHEMBL27718

O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KCNJ1 P48048 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AKR1C3 P42330 1/20 0.52
PKM P14618 1/20 0.51
HTR7 P34969 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
HPGDS O60760 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
SCHEMBL28241 0.88 KMT2A (0.60) KMT2ATDP1MAPTLMNAALDH1A1
SCHEMBL25189631 0.80 MEN1 (0.60) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29104 0.80 MAPT (0.56) KMT2AMAPTALDH1A1HRH3SIRT6
SCHEMBL25175455 0.80 MAPT (0.55) KMT2AMAPTLMNAALDH1A1HRH3
SCHEMBL27013 0.80 HPGDS (0.49) KMT2ATDP1MAPTLMNAALDH1A1
SCHEMBL85548 0.79 AKR1C3 (0.71) KMT2ATDP1MAPTLMNAALDH1A1
SCHEMBL27178650 0.78 SIRT6 (0.55) KMT2AMAPTLMNAHTR7SIRT6
SCHEMBL29772109 0.78 MAPT (0.60) KMT2AMAPTLMNAALDH1A1KCNJ1
SCHEMBL27356 0.77 MAPT (0.53) KMT2AMAPTALDH1A1HRH3SIRT6
SCHEMBL25189146 0.77 MEN1 (0.57) KMT2AMAPTLMNAALDH1A1SMN1; SMN2

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
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
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 KMT2A 3441/4885TDP1 4018/4885MAPT 4854/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS KMT2A 4129/4885TDP1 4044/4885MAPT 4854/4885

“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.