SCHEMBL4121949

SCHEMBL4121949

CC(CO)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
FDPS P14324 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL14856128 1.00 MAPT (0.36) MAPTSMN1; SMN2TDP1ALDH1A1CYP3A4
SCHEMBL14915004 1.00 MAPT (0.36) MAPTSMN1; SMN2TDP1ALDH1A1CYP3A4
SCHEMBL14915002 1.00 MAPT (0.36) MAPTSMN1; SMN2TDP1ALDH1A1CYP3A4
SCHEMBL2935813 0.97
SCHEMBL2935816 0.97
SCHEMBL6183540 0.97
SCHEMBL14915022 0.92
SCHEMBL14856116 0.92
SCHEMBL31484180 0.92
SCHEMBL14500222 0.90 MAPT (0.36) MAPTSMN1; SMN2TDP1ALDH1A1POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883196-B A kind of synthetic method of first piperazine raw medicine 中棉小康生物科技有限公司 2019-03-22 CN claimed
CN-106883196-A A kind of synthetic method of first piperazine active compound 安阳市小康农药有限责任公司 2017-06-23 CN claimed
EP-0350990-B1 Pyridazinone derivatives AKZO NOBEL NV (NL) 1995-09-20 EP claimed
US-4952571-A Pyridazinone derivatives AKZO, N.V. (NL) 1990-08-28 US claimed
EP-0350990-A1 Pyridazinone derivatives Akzo Nobel N.V. (NL) 1990-01-17 EP claimed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
CN-106883196-B A kind of synthetic method of first piperazine raw medicine 中棉小康生物科技有限公司 2019-03-22 CN disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
EP-3205648-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2017-08-16 EP disclosed
CN-106883196-A A kind of synthetic method of first piperazine active compound 安阳市小康农药有限责任公司 2017-06-23 CN disclosed
EP-2580210-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-20140107095-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 US disclosed
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
EP-0350990-B1 Pyridazinone derivatives AKZO NOBEL NV (NL) 1995-09-20 EP disclosed
US-5219866-A Antitumor agents ASTA MEDICA AG (DE) 1993-06-15 US disclosed
US-4952571-A Pyridazinone derivatives AKZO, N.V. (NL) 1990-08-28 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 (4 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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 MAPT 4340/4885SMN1; SMN2 2841/4885TDP1 4646/4885
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAPT 3693/4885SMN1; SMN2 4803/4885TDP1 4369/4885
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TPI1, TNKS MAPT 3693/4885SMN1; SMN2 3043/4885TDP1 22/4885
US-20140107095-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAPT 3601/4885SMN1; SMN2 4806/4885TDP1 4396/4885

“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.