SCHEMBL4729326

SCHEMBL4729326

O=S(=O)(c1cc[c]cc1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.53
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49
USP2 O75604 2/20 0.47
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
TDO2 P48775 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.41
HTR6 P50406 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
SCHEMBL1229961 0.82 USP2 (0.69) MAPTALDH1A1PKMUSP2LMNA
SCHEMBL421626 0.82 USP2 (0.63) MAPTALDH1A1PKMUSP2LMNA
SCHEMBL5657050 0.81 LMNA (0.61) MAPTALDH1A1PKMUSP2LMNA
Hydrochloric Acid SCHEMBL8130433 0.81 MAPT (0.64) MAPTALDH1A1PKMLMNAHTR6
SCHEMBL17246 0.81 MAPT (0.68) MAPTALDH1A1PKMLMNAHTR6
SCHEMBL893688 0.81 MAPT (0.68) MAPTALDH1A1PKMLMNAHTR6
SCHEMBL76639 0.81 USP2 (0.73) MAPTALDH1A1USP2LMNA
SCHEMBL2122633 0.81 USP2 (0.73) MAPTALDH1A1USP2LMNA
Hydrochloric Acid SCHEMBL16186 0.79 MAPT (0.66) MAPTALDH1A1PKMLMNAHTR6
SCHEMBL15284182 0.79 MAPT (0.66) MAPTALDH1A1PKMLMNAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP claimed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP claimed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US claimed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP claimed
WO-2023160638-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-08-31 WO disclosed
WO-2020207570-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2008053199-A1 COMBINATION THERAPY FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2008-05-08 WO disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 US disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
CN-1278269-A Piperazine-cyclodextrin complexes DAIICHI PHARMACEUTIAL CO LTD (JP) 2000-12-27 CN disclosed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP 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-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR MAPT 4830/4885ALDH1A1 2221/4885PKM 3815/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR MAPT 3282/4885ALDH1A1 3322/4885PKM 1319/4885

“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.