SCHEMBL4853407

SCHEMBL4853407

Cc1cnc(C(=O)CBr)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.39
SMYD3 Q9H7B4 1/20 0.39
NOS1 P29475 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
FDPS P14324 1/20 0.35
PKM P14618 1/20 0.35

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
Bromide SCHEMBL6169340 0.98 SMYD3 (0.38) GSK3BSMYD3NOS1NPC1RAB9A
SCHEMBL3705884 0.84 SMYD3 (0.42) GSK3BSMYD3NOS1NPC1RAB9A
SCHEMBL25801701 0.82 SMYD3 (0.40) SMYD3NOS1NPC1RAB9ASMN1; SMN2
SCHEMBL1357165 0.79 GSK3B (0.39) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL933967 0.79
SCHEMBL12294975 0.78 GSK3B (0.47) GSK3BNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22509130 0.77 RAB9A (0.40) SMYD3NOS1NPC1RAB9ASMN1; SMN2
SCHEMBL27858608 0.76 NOS1 (0.46) SMYD3NOS1NPC1RAB9ASMN1; SMN2
SCHEMBL15759485 0.76 GSK3B (0.34) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL6198413 0.74 CDC7 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 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 (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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 GSK3B 149/4885SMYD3 1915/4885NOS1 137/4885

“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.