SCHEMBL6446723

SCHEMBL6446723

CCN1CCN(S(=O)(=O)c2cnc(OC3CCN(C)CC3)c(Br)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.48
PDE5A O76074 9/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.44
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6446091 0.89 ALDH1A1 (0.58) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL6444685 0.85 ALDH1A1 (0.56) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL6441804 0.85 ALDH1A1 (0.56) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL6442726 0.85 KMT2A (0.71) ALDH1A1KMT2ALMNAPDE5ACYP2D6
SCHEMBL6442718 0.84 KMT2A (0.70) ALDH1A1KMT2ALMNAPDE5ACYP2D6
SCHEMBL6442720 0.83 KMT2A (0.57) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL6444270 0.82 KMT2A (0.59) ALDH1A1KMT2ATSHRPDE5ACYP2D6
SCHEMBL2402633 0.82 ALDH1A1 (0.70) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL3578634 0.79 ALDH1A1 (0.64) ALDH1A1KMT2ALMNATSHRPDE5A
SCHEMBL6447545 0.78 ALDH1A1 (0.64) ALDH1A1KMT2ALMNATSHRPDE5A

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-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 254/4885KMT2A 4533/4885LMNA 3708/4885

“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.