SCHEMBL4400254

SCHEMBL4400254

CCCCCNC(=N)NN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.46
SPHK1 Q9NYA1 4/20 0.42
CASP2 P42575 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
NAAA Q02083 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
RRM1 P23921 1/20 0.38

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
SCHEMBL9290904 0.98 EPHX1 (0.50) EPHX1SPHK1CASP2DPP7ZDHHC20
Iodide SCHEMBL4399927 0.98 EPHX1 (0.45) EPHX1SPHK1CASP2DPP7ALDH1A1
Bromide SCHEMBL5326683 0.98 EPHX1 (0.45) EPHX1SPHK1CASP2DPP7ALDH1A1
SCHEMBL9415795 0.98 EPHX1 (0.50) EPHX1SPHK1CASP2DPP7ZDHHC20
SCHEMBL9290794 0.93
Iodide SCHEMBL11150659 0.91 GRIN2D (0.41) EPHX1SPHK1TSHR
Hydrochloric Acid SCHEMBL9325329 0.91 GRIN2D (0.41) EPHX1SPHK1TSHR
SCHEMBL14771505 0.85 SMN1; SMN2 (0.40) EPHX1SPHK1ALDH1A1
SCHEMBL88539 0.85 EPHX1 (0.54) EPHX1SPHK1CASP2DPP7ALDH1A1
SCHEMBL1272676 0.83 EPHX1 (0.58) EPHX1SPHK1CASP2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF GENERICS UK LIMITED (GB) 2009-12-10 US claimed
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO claimed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP claimed
US-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF GENERICS UK LIMITED (GB) 2009-12-10 US disclosed
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO disclosed
WO-2008095903-A1 NEW ADDITION SALT OF N-AMINO-N'-PENTYLGUANIDINE, THE PROCESS FOR ITS PREPARATION AND USE THEREOF FOR OBTAINING TEGASEROD CHEMO IBÉRICA, S.A. (ES) 2008-08-14 WO disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
EP-1955998-A1 New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod Chemo Ibérica, S.A. (ES) 2008-08-13 EP disclosed
WO-2008077871-A1 SALTS OF TEGASEROD NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-1939176-A1 Salts of Tegaserod Novartis AG (CH) 2008-07-02 EP disclosed
EP-1435932-A4 INHIBITORS OF RNASE P PROTEINS AS ANTIBACTERIAL COMPOUNDS MESSAGE PHARMACEUTICALS INC (US) 2006-12-06 EP disclosed
WO-2006116953-A1 A METHOD FOR THE PREPARATION OF TEGASEROD AND SLECTED SALTS THEREOF ZENTIVA, A.S. (CZ) 2006-11-09 WO disclosed
US-20060178519-A1 Process for preparing tegaserod DR. REDDY'S LABORATORIES LIMITED (IN) 2006-08-10 US disclosed
US-7001924-B2 Inhibitors of RNase P proteins as antibacterial compounds MESSAGE PHARMACEUTICALS (US) 2006-02-21 US disclosed
WO-2006002212-A1 TEGASEROD HEMIMALEATE DR. REDDY'S LABORATORIES LTD. (IN) 2006-01-05 WO disclosed
EP-1435932-A2 INHIBITORS OF RNASE P PROTEINS AS ANTIBACTERIAL COMPOUNDS Message Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030134904-A1 Inhibitors of RNase P proteins as antibacterial compounds S.R. ONE, LIMITED 2003-07-17 US disclosed
WO-2003024407-A2 INHIBITORS OF RNASE P PROTEINS AS ANTIBACTERIAL COMPOUNDS MESSAGE PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
US-4160754-A Stable polymer gels BAYER AKTIENGESELLSCHAFT (DE) 1979-07-10 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 (3 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-20090306170-A1 SYNTHESIS OF TEGASEROD OR A SALT THEREOF SLC10A2, VIP, GIPR EPHX1 1349/4885SPHK1 686/4885CASP2 4293/4885
US-20030134904-A1 Inhibitors of RNase P proteins as antibacterial compounds RNASEH1, RNASEL, SNRPA EPHX1 4549/4885SPHK1 3829/4885CASP2 1708/4885
US-20060178519-A1 Process for preparing tegaserod MLNR, MLN, UGT1A9 EPHX1 152/4885SPHK1 3569/4885CASP2 2974/4885

“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.