SCHEMBL3578634

SCHEMBL3578634

CCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.55
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE5A O76074 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2402633 0.89 ALDH1A1 (0.70) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL13500479 0.81 KMT2A (0.81) ALDH1A1LMNAKMT2ATSHRKDM4E
Hydrochloric Acid SCHEMBL6442047 0.81 KMT2A (0.79) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL6443105 0.80 KMT2A (0.64) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL7388781 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL6446698 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL6446723 0.79 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL3581112 0.79 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AGAAMAPT
SCHEMBL3131935 0.78 TSHR (0.63) ALDH1A1LMNAKMT2ATSHRKDM4E
SCHEMBL7388778 0.78 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ATSHRKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 US disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
EP-1220856-B1 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES PFIZER LTD (GB) 2004-12-08 EP disclosed
US-20040152712-A1 Pharmaceutically active compounds PFIZER INC. 2004-08-05 US disclosed
US-6677335-B1 PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE DERIVATIVES; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; SEXUAL AND UROGENITAL DISORDERS PFIZER INC 2004-01-13 US disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B ALDH1A1 254/4885LMNA 3708/4885KMT2A 4533/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B ALDH1A1 758/4885LMNA 1380/4885KMT2A 4553/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B ALDH1A1 758/4885LMNA 1380/4885KMT2A 4553/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A ALDH1A1 507/4885LMNA 2113/4885KMT2A 4526/4885

“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.